3-cyclopropyl-1-propan-2-ylpyrazole;3-(difluoromethyl)-1-propan-2-yl-1,2,4-triazole;3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;3-ethyl-1-propan-2-yl-1,2,4-triazole;4-(1-fluoroethyl)-1-propan-2-yltriazole;methane;3-methyl-1-propan-2-ylpyrazole;3-methyl-1-propan-2-yl-1,2,4-triazole;4-methyl-1-propan-2-yltriazole;5-methyl-1-propan-2-yl-1,2,4-triazole;1-propan-2-ylpyrazole-3-carbonitrile;bis(1-propan-2-ylpyrrole-3-carbonitrile);1-propan-2-yltetrazole;1-propan-2-yl-1,2,4-triazole;1-propan-2-yl-3-(trifluoromethyl)pyrazole;1-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazole

C107H173F9N44 — CID 163951110

IUPAC3-cyclopropyl-1-propan-2-ylpyrazole;3-(difluoromethyl)-1-propan-2-yl-1,2,4-triazole;3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;3-ethyl-1-propan-2-yl-1,2,4-triazole;4-(1-fluoroethyl)-1-propan-2-yltriazole;methane;3-methyl-1-propan-2-ylpyrazole;3-methyl-1-propan-2-yl-1,2,4-triazole;4-methyl-1-propan-2-yltriazole;5-methyl-1-propan-2-yl-1,2,4-triazole;1-propan-2-ylpyrazole-3-carbonitrile;bis(1-propan-2-ylpyrrole-3-carbonitrile);1-propan-2-yltetrazole;1-propan-2-yl-1,2,4-triazole;1-propan-2-yl-3-(trifluoromethyl)pyrazole;1-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazole
SMILESC.CC(C)n1ccc(C#N)c1.CC(C)n1ccc(C#N)c1.CC(C)n1ccc(C#N)n1.CC(C)n1ccc(C(F)(F)F)n1.CC(C)n1ccc(C2CC2)n1.CC(C)n1cnc(C(F)(F)F)n1.CC(C)n1cnc(C(F)F)n1.CC(C)n1cncn1.CC(C)n1cnnn1.CC(F)c1cn(C(C)C)nn1.CCc1ncn(C(C)C)n1.Cc1ccn(C(C)C)n1.Cc1cn(C(C)C)nn1.Cc1nc(C)n(C(C)C)n1.Cc1ncn(C(C)C)n1.Cc1ncnn1C(C)C
InChIInChI=1S/C9H14N2.2C8H10N2.C7H9F3N2.C7H12FN3.C7H13N3.C7H9N3.C7H13N3.C7H12N2.C6H8F3N3.C6H9F2N3.3C6H11N3.C5H9N3.C4H8N4.CH4/c1-7(2)11-6-5-9(10-11)8-3-4-8;2*1-7(2)10-4-3-8(5-9)6-10;1-5(2)12-4-3-6(11-12)7(8,9)10;1-5(2)11-4-7(6(3)8)9-10-11;1-5(2)10-7(4)8-6(3)9-10;1-6(2)10-4-3-7(5-8)9-10;1-4-7-8-5-10(9-7)6(2)3;1-6(2)9-5-4-7(3)8-9;1-4(2)12-3-10-5(11-12)6(7,8)9;1-4(2)11-3-9-6(10-11)5(7)8;1-5(2)9-4-7-6(3)8-9;1-5(2)9-6(3)7-4-8-9;1-5(2)9-4-6(3)7-8-9;1-5(2)8-4-6-3-7-8;1-4(2)8-3-5-6-7-8;/h5-8H,3-4H2,1-2H3;2*3-4,6-7H,1-2H3;3-5H,1-2H3;4-6H,1-3H3;5H,1-4H3;3-4,6H,1-2H3;5-6H,4H2,1-3H3;4-6H,1-3H3;3-4H,1-2H3;3-5H,1-2H3;3*4-5H,1-3H3;3-5H,1-2H3;3-4H,1-2H3;1H4
InChIKeyRZKATRLLCQIZAW-UHFFFAOYSA-N
MW2246.85 g/mol
LogP25.53
Rot. Bonds20

About 3-cyclopropyl-1-propan-2-ylpyrazole;3-(difluoromethyl)-1-propan-2-yl-1,2,4-triazole;3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;3-ethyl-1-propan-2-yl-1,2,4-triazole;4-(1-fluoroethyl)-1-propan-2-yltriazole;methane;3-methyl-1-propan-2-ylpyrazole;3-methyl-1-propan-2-yl-1,2,4-triazole;4-methyl-1-propan-2-yltriazole;5-methyl-1-propan-2-yl-1,2,4-triazole;1-propan-2-ylpyrazole-3-carbonitrile;bis(1-propan-2-ylpyrrole-3-carbonitrile);1-propan-2-yltetrazole;1-propan-2-yl-1,2,4-triazole;1-propan-2-yl-3-(trifluoromethyl)pyrazole;1-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazole

3-cyclopropyl-1-propan-2-ylpyrazole;3-(difluoromethyl)-1-propan-2-yl-1,2,4-triazole;3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;3-ethyl-1-propan-2-yl-1,2,4-triazole;4-(1-fluoroethyl)-1-propan-2-yltriazole;methane;3-methyl-1-propan-2-ylpyrazole;3-methyl-1-propan-2-yl-1,2,4-triazole;4-methyl-1-propan-2-yltriazole;5-methyl-1-propan-2-yl-1,2,4-triazole;1-propan-2-ylpyrazole-3-carbonitrile;bis(1-propan-2-ylpyrrole-3-carbonitrile);1-propan-2-yltetrazole;1-propan-2-yl-1,2,4-triazole;1-propan-2-yl-3-(trifluoromethyl)pyrazole;1-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazole (PubChem CID 163951110) has the molecular formula C107H173F9N44 and a molecular weight of 2246.85 g/mol. Its IUPAC name is 3-cyclopropyl-1-propan-2-ylpyrazole;3-(difluoromethyl)-1-propan-2-yl-1,2,4-triazole;3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;3-ethyl-1-propan-2-yl-1,2,4-triazole;4-(1-fluoroethyl)-1-propan-2-yltriazole;methane;3-methyl-1-propan-2-ylpyrazole;3-methyl-1-propan-2-yl-1,2,4-triazole;4-methyl-1-propan-2-yltriazole;5-methyl-1-propan-2-yl-1,2,4-triazole;1-propan-2-ylpyrazole-3-carbonitrile;bis(1-propan-2-ylpyrrole-3-carbonitrile);1-propan-2-yltetrazole;1-propan-2-yl-1,2,4-triazole;1-propan-2-yl-3-(trifluoromethyl)pyrazole;1-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-cyclopropyl-1-propan-2-ylpyrazole;3-(difluoromethyl)-1-propan-2-yl-1,2,4-triazole;3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;3-ethyl-1-propan-2-yl-1,2,4-triazole;4-(1-fluoroethyl)-1-propan-2-yltriazole;methane;3-methyl-1-propan-2-ylpyrazole;3-methyl-1-propan-2-yl-1,2,4-triazole;4-methyl-1-propan-2-yltriazole;5-methyl-1-propan-2-yl-1,2,4-triazole;1-propan-2-ylpyrazole-3-carbonitrile;bis(1-propan-2-ylpyrrole-3-carbonitrile);1-propan-2-yltetrazole;1-propan-2-yl-1,2,4-triazole;1-propan-2-yl-3-(trifluoromethyl)pyrazole;1-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazole
PubChem CID163951110
Molecular FormulaC107H173F9N44
Molecular Weight2246.85 g/mol
Exact Mass2245.47
IUPAC Name3-cyclopropyl-1-propan-2-ylpyrazole;3-(difluoromethyl)-1-propan-2-yl-1,2,4-triazole;3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;3-ethyl-1-propan-2-yl-1,2,4-triazole;4-(1-fluoroethyl)-1-propan-2-yltriazole;methane;3-methyl-1-propan-2-ylpyrazole;3-methyl-1-propan-2-yl-1,2,4-triazole;4-methyl-1-propan-2-yltriazole;5-methyl-1-propan-2-yl-1,2,4-triazole;1-propan-2-ylpyrazole-3-carbonitrile;bis(1-propan-2-ylpyrrole-3-carbonitrile);1-propan-2-yltetrazole;1-propan-2-yl-1,2,4-triazole;1-propan-2-yl-3-(trifluoromethyl)pyrazole;1-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazole
SMILESC.CC(C)n1ccc(C#N)c1.CC(C)n1ccc(C#N)c1.CC(C)n1ccc(C#N)n1.CC(C)n1ccc(C(F)(F)F)n1.CC(C)n1ccc(C2CC2)n1.CC(C)n1cnc(C(F)(F)F)n1.CC(C)n1cnc(C(F)F)n1.CC(C)n1cncn1.CC(C)n1cnnn1.CC(F)c1cn(C(C)C)nn1.CCc1ncn(C(C)C)n1.Cc1ccn(C(C)C)n1.Cc1cn(C(C)C)nn1.Cc1nc(C)n(C(C)C)n1.Cc1ncn(C(C)C)n1.Cc1ncnn1C(C)C
InChIInChI=1S/C9H14N2.2C8H10N2.C7H9F3N2.C7H12FN3.C7H13N3.C7H9N3.C7H13N3.C7H12N2.C6H8F3N3.C6H9F2N3.3C6H11N3.C5H9N3.C4H8N4.CH4/c1-7(2)11-6-5-9(10-11)8-3-4-8;2*1-7(2)10-4-3-8(5-9)6-10;1-5(2)12-4-3-6(11-12)7(8,9)10;1-5(2)11-4-7(6(3)8)9-10-11;1-5(2)10-7(4)8-6(3)9-10;1-6(2)10-4-3-7(5-8)9-10;1-4-7-8-5-10(9-7)6(2)3;1-6(2)9-5-4-7(3)8-9;1-4(2)12-3-10-5(11-12)6(7,8)9;1-4(2)11-3-9-6(10-11)5(7)8;1-5(2)9-4-7-6(3)8-9;1-5(2)9-6(3)7-4-8-9;1-5(2)9-4-6(3)7-8-9;1-5(2)8-4-6-3-7-8;1-4(2)8-3-5-6-7-8;/h5-8H,3-4H2,1-2H3;2*3-4,6-7H,1-2H3;3-5H,1-2H3;4-6H,1-3H3;5H,1-4H3;3-4,6H,1-2H3;5-6H,4H2,1-3H3;4-6H,1-3H3;3-4H,1-2H3;3-5H,1-2H3;3*4-5H,1-3H3;3-5H,1-2H3;3-4H,1-2H3;1H4
InChIKeyRZKATRLLCQIZAW-UHFFFAOYSA-N
XLogP25.53
TPSA472.50 Ų
H-Bond Donors
H-Bond Acceptors44
Rotatable Bonds20
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002246.85
LogP ≤ 525.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1044

Analyze 3-cyclopropyl-1-propan-2-ylpyrazole;3-(difluoromethyl)-1-propan-2-yl-1,2,4-triazole;3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;3-ethyl-1-propan-2-yl-1,2,4-triazole;4-(1-fluoroethyl)-1-propan-2-yltriazole;methane;3-methyl-1-propan-2-ylpyrazole;3-methyl-1-propan-2-yl-1,2,4-triazole;4-methyl-1-propan-2-yltriazole;5-methyl-1-propan-2-yl-1,2,4-triazole;1-propan-2-ylpyrazole-3-carbonitrile;bis(1-propan-2-ylpyrrole-3-carbonitrile);1-propan-2-yltetrazole;1-propan-2-yl-1,2,4-triazole;1-propan-2-yl-3-(trifluoromethyl)pyrazole;1-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-propan-2-ylpyrazole;3-(difluoromethyl)-1-propan-2-yl-1,2,4-triazole;3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;3-ethyl-1-propan-2-yl-1,2,4-triazole;4-(1-fluoroethyl)-1-propan-2-yltriazole;methane;3-methyl-1-propan-2-ylpyrazole;3-methyl-1-propan-2-yl-1,2,4-triazole;4-methyl-1-propan-2-yltriazole;5-methyl-1-propan-2-yl-1,2,4-triazole;1-propan-2-ylpyrazole-3-carbonitrile;bis(1-propan-2-ylpyrrole-3-carbonitrile);1-propan-2-yltetrazole;1-propan-2-yl-1,2,4-triazole;1-propan-2-yl-3-(trifluoromethyl)pyrazole;1-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazole?
The IUPAC name of 3-cyclopropyl-1-propan-2-ylpyrazole;3-(difluoromethyl)-1-propan-2-yl-1,2,4-triazole;3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;3-ethyl-1-propan-2-yl-1,2,4-triazole;4-(1-fluoroethyl)-1-propan-2-yltriazole;methane;3-methyl-1-propan-2-ylpyrazole;3-methyl-1-propan-2-yl-1,2,4-triazole;4-methyl-1-propan-2-yltriazole;5-methyl-1-propan-2-yl-1,2,4-triazole;1-propan-2-ylpyrazole-3-carbonitrile;bis(1-propan-2-ylpyrrole-3-carbonitrile);1-propan-2-yltetrazole;1-propan-2-yl-1,2,4-triazole;1-propan-2-yl-3-(trifluoromethyl)pyrazole;1-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazole (CID 163951110) is 3-cyclopropyl-1-propan-2-ylpyrazole;3-(difluoromethyl)-1-propan-2-yl-1,2,4-triazole;3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;3-ethyl-1-propan-2-yl-1,2,4-triazole;4-(1-fluoroethyl)-1-propan-2-yltriazole;methane;3-methyl-1-propan-2-ylpyrazole;3-methyl-1-propan-2-yl-1,2,4-triazole;4-methyl-1-propan-2-yltriazole;5-methyl-1-propan-2-yl-1,2,4-triazole;1-propan-2-ylpyrazole-3-carbonitrile;bis(1-propan-2-ylpyrrole-3-carbonitrile);1-propan-2-yltetrazole;1-propan-2-yl-1,2,4-triazole;1-propan-2-yl-3-(trifluoromethyl)pyrazole;1-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazole.
What is the SMILES notation for 3-cyclopropyl-1-propan-2-ylpyrazole;3-(difluoromethyl)-1-propan-2-yl-1,2,4-triazole;3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;3-ethyl-1-propan-2-yl-1,2,4-triazole;4-(1-fluoroethyl)-1-propan-2-yltriazole;methane;3-methyl-1-propan-2-ylpyrazole;3-methyl-1-propan-2-yl-1,2,4-triazole;4-methyl-1-propan-2-yltriazole;5-methyl-1-propan-2-yl-1,2,4-triazole;1-propan-2-ylpyrazole-3-carbonitrile;bis(1-propan-2-ylpyrrole-3-carbonitrile);1-propan-2-yltetrazole;1-propan-2-yl-1,2,4-triazole;1-propan-2-yl-3-(trifluoromethyl)pyrazole;1-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazole?
The canonical SMILES for 3-cyclopropyl-1-propan-2-ylpyrazole;3-(difluoromethyl)-1-propan-2-yl-1,2,4-triazole;3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;3-ethyl-1-propan-2-yl-1,2,4-triazole;4-(1-fluoroethyl)-1-propan-2-yltriazole;methane;3-methyl-1-propan-2-ylpyrazole;3-methyl-1-propan-2-yl-1,2,4-triazole;4-methyl-1-propan-2-yltriazole;5-methyl-1-propan-2-yl-1,2,4-triazole;1-propan-2-ylpyrazole-3-carbonitrile;bis(1-propan-2-ylpyrrole-3-carbonitrile);1-propan-2-yltetrazole;1-propan-2-yl-1,2,4-triazole;1-propan-2-yl-3-(trifluoromethyl)pyrazole;1-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazole is C.CC(C)n1ccc(C#N)c1.CC(C)n1ccc(C#N)c1.CC(C)n1ccc(C#N)n1.CC(C)n1ccc(C(F)(F)F)n1.CC(C)n1ccc(C2CC2)n1.CC(C)n1cnc(C(F)(F)F)n1.CC(C)n1cnc(C(F)F)n1.CC(C)n1cncn1.CC(C)n1cnnn1.CC(F)c1cn(C(C)C)nn1.CCc1ncn(C(C)C)n1.Cc1ccn(C(C)C)n1.Cc1cn(C(C)C)nn1.Cc1nc(C)n(C(C)C)n1.Cc1ncn(C(C)C)n1.Cc1ncnn1C(C)C.
What is the InChIKey of 3-cyclopropyl-1-propan-2-ylpyrazole;3-(difluoromethyl)-1-propan-2-yl-1,2,4-triazole;3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;3-ethyl-1-propan-2-yl-1,2,4-triazole;4-(1-fluoroethyl)-1-propan-2-yltriazole;methane;3-methyl-1-propan-2-ylpyrazole;3-methyl-1-propan-2-yl-1,2,4-triazole;4-methyl-1-propan-2-yltriazole;5-methyl-1-propan-2-yl-1,2,4-triazole;1-propan-2-ylpyrazole-3-carbonitrile;bis(1-propan-2-ylpyrrole-3-carbonitrile);1-propan-2-yltetrazole;1-propan-2-yl-1,2,4-triazole;1-propan-2-yl-3-(trifluoromethyl)pyrazole;1-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazole?
The InChIKey is RZKATRLLCQIZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2.2C8H10N2.C7H9F3N2.C7H12FN3.C7H13N3.C7H9N3.C7H13N3.C7H12N2.C6H8F3N3.C6H9F2N3.3C6H11N3.C5H9N3.C4H8N4.CH4/c1-7(2)11-6-5-9(10-11)8-3-4-8;2*1-7(2)10-4-3-8(5-9)6-10;1-5(2)12-4-3-6(11-12)7(8,9)10;1-5(2)11-4-7(6(3)8)9-10-11;1-5(2)10-7(4)8-6(3)9-10;1-6(2)10-4-3-7(5-8)9-10;1-4-7-8-5-10(9-7)6(2)3;1-6(2)9-5-4-7(3)8-9;1-4(2)12-3-10-5(11-12)6(7,8)9;1-4(2)11-3-9-6(10-11)5(7)8;1-5(2)9-4-7-6(3)8-9;1-5(2)9-6(3)7-4-8-9;1-5(2)9-4-6(3)7-8-9;1-5(2)8-4-6-3-7-8;1-4(2)8-3-5-6-7-8;/h5-8H,3-4H2,1-2H3;2*3-4,6-7H,1-2H3;3-5H,1-2H3;4-6H,1-3H3;5H,1-4H3;3-4,6H,1-2H3;5-6H,4H2,1-3H3;4-6H,1-3H3;3-4H,1-2H3;3-5H,1-2H3;3*4-5H,1-3H3;3-5H,1-2H3;3-4H,1-2H3;1H4.
What are the key properties of 3-cyclopropyl-1-propan-2-ylpyrazole;3-(difluoromethyl)-1-propan-2-yl-1,2,4-triazole;3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;3-ethyl-1-propan-2-yl-1,2,4-triazole;4-(1-fluoroethyl)-1-propan-2-yltriazole;methane;3-methyl-1-propan-2-ylpyrazole;3-methyl-1-propan-2-yl-1,2,4-triazole;4-methyl-1-propan-2-yltriazole;5-methyl-1-propan-2-yl-1,2,4-triazole;1-propan-2-ylpyrazole-3-carbonitrile;bis(1-propan-2-ylpyrrole-3-carbonitrile);1-propan-2-yltetrazole;1-propan-2-yl-1,2,4-triazole;1-propan-2-yl-3-(trifluoromethyl)pyrazole;1-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazole?
3-cyclopropyl-1-propan-2-ylpyrazole;3-(difluoromethyl)-1-propan-2-yl-1,2,4-triazole;3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;3-ethyl-1-propan-2-yl-1,2,4-triazole;4-(1-fluoroethyl)-1-propan-2-yltriazole;methane;3-methyl-1-propan-2-ylpyrazole;3-methyl-1-propan-2-yl-1,2,4-triazole;4-methyl-1-propan-2-yltriazole;5-methyl-1-propan-2-yl-1,2,4-triazole;1-propan-2-ylpyrazole-3-carbonitrile;bis(1-propan-2-ylpyrrole-3-carbonitrile);1-propan-2-yltetrazole;1-propan-2-yl-1,2,4-triazole;1-propan-2-yl-3-(trifluoromethyl)pyrazole;1-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazole has a molecular weight of 2246.85 g/mol, XLogP of 25.53, 20 rotatable bonds, 0 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-propan-2-ylpyrazole;3-(difluoromethyl)-1-propan-2-yl-1,2,4-triazole;3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;3-ethyl-1-propan-2-yl-1,2,4-triazole;4-(1-fluoroethyl)-1-propan-2-yltriazole;methane;3-methyl-1-propan-2-ylpyrazole;3-methyl-1-propan-2-yl-1,2,4-triazole;4-methyl-1-propan-2-yltriazole;5-methyl-1-propan-2-yl-1,2,4-triazole;1-propan-2-ylpyrazole-3-carbonitrile;bis(1-propan-2-ylpyrrole-3-carbonitrile);1-propan-2-yltetrazole;1-propan-2-yl-1,2,4-triazole;1-propan-2-yl-3-(trifluoromethyl)pyrazole;1-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazole is sourced from PubChem (CID 163951110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).