1-cyclopropyl-3-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;4,5-dimethyl-3-propan-2-yl-1H-pyrazole;1-ethyl-3-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-yl-2H-pyrrole;1,3,5-trimethyl-4-propan-2-ylpyrazole;1,4,5-trimethyl-3-propan-2-ylpyrazole

C122H208N30O — CID 159820526

IUPAC1-cyclopropyl-3-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;4,5-dimethyl-3-propan-2-yl-1H-pyrazole;1-ethyl-3-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-yl-2H-pyrrole;1,3,5-trimethyl-4-propan-2-ylpyrazole;1,4,5-trimethyl-3-propan-2-ylpyrazole
SMILESCC(C)C1=CC=NC1.CC(C)c1ccn(C)n1.CC(C)c1ccn(C2CC2)n1.CC(C)c1ccn[nH]1.CC(C)c1cn[nH]c1.CC(C)c1cnn(C)c1.CCn1ccc(C(C)C)n1.Cc1[nH]nc(C(C)C)c1C.Cc1[nH]ncc1C(C)C.Cc1c(C(C)C)cnn1C.Cc1c(C(C)C)nn(C)c1C.Cc1cc(C(C)C)nn1C.Cc1cn(C)nc1C(C)C.Cc1n[nH]c(C)c1C(C)C.Cc1nn(C)c(C)c1C(C)C.Cc1oncc1C(C)C
InChIInChI=1S/C9H14N2.2C9H16N2.6C8H14N2.3C7H12N2.C7H11NO.C7H11N.2C6H10N2/c1-7(2)9-5-6-11(10-9)8-3-4-8;1-6(2)9-7(3)10-11(5)8(9)4;1-6(2)9-7(3)8(4)11(5)10-9;1-6(2)8-5-9-10(4)7(8)3;1-6(2)8-7(3)5-10(4)9-8;1-6(2)8-5-7(3)10(4)9-8;1-5(2)8-6(3)9-10-7(8)4;1-5(2)8-6(3)7(4)9-10-8;1-4-10-6-5-8(9-10)7(2)3;1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-5-9(3)8-7;2*1-5(2)7-4-8-9-6(7)3;1-6(2)7-3-4-8-5-7;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-7-8-6/h5-8H,3-4H2,1-2H3;2*6H,1-5H3;3*5-6H,1-4H3;2*5H,1-4H3,(H,9,10);5-7H,4H2,1-3H3;2*4-6H,1-3H3;4-5H,1-3H3,(H,8,9);4-5H,1-3H3;3-4,6H,5H2,1-2H3;2*3-5H,1-2H3,(H,7,8)
InChIKeyNMEFVBIBUORYIL-UHFFFAOYSA-N
MW2111.21 g/mol
LogP30.30
Rot. Bonds18

About 1-cyclopropyl-3-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;4,5-dimethyl-3-propan-2-yl-1H-pyrazole;1-ethyl-3-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-yl-2H-pyrrole;1,3,5-trimethyl-4-propan-2-ylpyrazole;1,4,5-trimethyl-3-propan-2-ylpyrazole

1-cyclopropyl-3-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;4,5-dimethyl-3-propan-2-yl-1H-pyrazole;1-ethyl-3-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-yl-2H-pyrrole;1,3,5-trimethyl-4-propan-2-ylpyrazole;1,4,5-trimethyl-3-propan-2-ylpyrazole (PubChem CID 159820526) has the molecular formula C122H208N30O and a molecular weight of 2111.21 g/mol. Its IUPAC name is 1-cyclopropyl-3-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;4,5-dimethyl-3-propan-2-yl-1H-pyrazole;1-ethyl-3-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-yl-2H-pyrrole;1,3,5-trimethyl-4-propan-2-ylpyrazole;1,4,5-trimethyl-3-propan-2-ylpyrazole.

Molecular Properties

Compound Name1-cyclopropyl-3-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;4,5-dimethyl-3-propan-2-yl-1H-pyrazole;1-ethyl-3-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-yl-2H-pyrrole;1,3,5-trimethyl-4-propan-2-ylpyrazole;1,4,5-trimethyl-3-propan-2-ylpyrazole
PubChem CID159820526
Molecular FormulaC122H208N30O
Molecular Weight2111.21 g/mol
Exact Mass2109.71
IUPAC Name1-cyclopropyl-3-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;4,5-dimethyl-3-propan-2-yl-1H-pyrazole;1-ethyl-3-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-yl-2H-pyrrole;1,3,5-trimethyl-4-propan-2-ylpyrazole;1,4,5-trimethyl-3-propan-2-ylpyrazole
SMILESCC(C)C1=CC=NC1.CC(C)c1ccn(C)n1.CC(C)c1ccn(C2CC2)n1.CC(C)c1ccn[nH]1.CC(C)c1cn[nH]c1.CC(C)c1cnn(C)c1.CCn1ccc(C(C)C)n1.Cc1[nH]nc(C(C)C)c1C.Cc1[nH]ncc1C(C)C.Cc1c(C(C)C)cnn1C.Cc1c(C(C)C)nn(C)c1C.Cc1cc(C(C)C)nn1C.Cc1cn(C)nc1C(C)C.Cc1n[nH]c(C)c1C(C)C.Cc1nn(C)c(C)c1C(C)C.Cc1oncc1C(C)C
InChIInChI=1S/C9H14N2.2C9H16N2.6C8H14N2.3C7H12N2.C7H11NO.C7H11N.2C6H10N2/c1-7(2)9-5-6-11(10-9)8-3-4-8;1-6(2)9-7(3)10-11(5)8(9)4;1-6(2)9-7(3)8(4)11(5)10-9;1-6(2)8-5-9-10(4)7(8)3;1-6(2)8-7(3)5-10(4)9-8;1-6(2)8-5-7(3)10(4)9-8;1-5(2)8-6(3)9-10-7(8)4;1-5(2)8-6(3)7(4)9-10-8;1-4-10-6-5-8(9-10)7(2)3;1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-5-9(3)8-7;2*1-5(2)7-4-8-9-6(7)3;1-6(2)7-3-4-8-5-7;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-7-8-6/h5-8H,3-4H2,1-2H3;2*6H,1-5H3;3*5-6H,1-4H3;2*5H,1-4H3,(H,9,10);5-7H,4H2,1-3H3;2*4-6H,1-3H3;4-5H,1-3H3,(H,8,9);4-5H,1-3H3;3-4,6H,5H2,1-2H3;2*3-5H,1-2H3,(H,7,8)
InChIKeyNMEFVBIBUORYIL-UHFFFAOYSA-N
XLogP30.30
TPSA342.17 Ų
H-Bond Donors5
H-Bond Acceptors26
Rotatable Bonds18
Heavy Atoms153
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002111.21
LogP ≤ 530.30
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1026

Analyze 1-cyclopropyl-3-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;4,5-dimethyl-3-propan-2-yl-1H-pyrazole;1-ethyl-3-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-yl-2H-pyrrole;1,3,5-trimethyl-4-propan-2-ylpyrazole;1,4,5-trimethyl-3-propan-2-ylpyrazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;4,5-dimethyl-3-propan-2-yl-1H-pyrazole;1-ethyl-3-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-yl-2H-pyrrole;1,3,5-trimethyl-4-propan-2-ylpyrazole;1,4,5-trimethyl-3-propan-2-ylpyrazole?
The IUPAC name of 1-cyclopropyl-3-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;4,5-dimethyl-3-propan-2-yl-1H-pyrazole;1-ethyl-3-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-yl-2H-pyrrole;1,3,5-trimethyl-4-propan-2-ylpyrazole;1,4,5-trimethyl-3-propan-2-ylpyrazole (CID 159820526) is 1-cyclopropyl-3-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;4,5-dimethyl-3-propan-2-yl-1H-pyrazole;1-ethyl-3-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-yl-2H-pyrrole;1,3,5-trimethyl-4-propan-2-ylpyrazole;1,4,5-trimethyl-3-propan-2-ylpyrazole.
What is the SMILES notation for 1-cyclopropyl-3-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;4,5-dimethyl-3-propan-2-yl-1H-pyrazole;1-ethyl-3-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-yl-2H-pyrrole;1,3,5-trimethyl-4-propan-2-ylpyrazole;1,4,5-trimethyl-3-propan-2-ylpyrazole?
The canonical SMILES for 1-cyclopropyl-3-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;4,5-dimethyl-3-propan-2-yl-1H-pyrazole;1-ethyl-3-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-yl-2H-pyrrole;1,3,5-trimethyl-4-propan-2-ylpyrazole;1,4,5-trimethyl-3-propan-2-ylpyrazole is CC(C)C1=CC=NC1.CC(C)c1ccn(C)n1.CC(C)c1ccn(C2CC2)n1.CC(C)c1ccn[nH]1.CC(C)c1cn[nH]c1.CC(C)c1cnn(C)c1.CCn1ccc(C(C)C)n1.Cc1[nH]nc(C(C)C)c1C.Cc1[nH]ncc1C(C)C.Cc1c(C(C)C)cnn1C.Cc1c(C(C)C)nn(C)c1C.Cc1cc(C(C)C)nn1C.Cc1cn(C)nc1C(C)C.Cc1n[nH]c(C)c1C(C)C.Cc1nn(C)c(C)c1C(C)C.Cc1oncc1C(C)C.
What is the InChIKey of 1-cyclopropyl-3-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;4,5-dimethyl-3-propan-2-yl-1H-pyrazole;1-ethyl-3-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-yl-2H-pyrrole;1,3,5-trimethyl-4-propan-2-ylpyrazole;1,4,5-trimethyl-3-propan-2-ylpyrazole?
The InChIKey is NMEFVBIBUORYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2.2C9H16N2.6C8H14N2.3C7H12N2.C7H11NO.C7H11N.2C6H10N2/c1-7(2)9-5-6-11(10-9)8-3-4-8;1-6(2)9-7(3)10-11(5)8(9)4;1-6(2)9-7(3)8(4)11(5)10-9;1-6(2)8-5-9-10(4)7(8)3;1-6(2)8-7(3)5-10(4)9-8;1-6(2)8-5-7(3)10(4)9-8;1-5(2)8-6(3)9-10-7(8)4;1-5(2)8-6(3)7(4)9-10-8;1-4-10-6-5-8(9-10)7(2)3;1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-5-9(3)8-7;2*1-5(2)7-4-8-9-6(7)3;1-6(2)7-3-4-8-5-7;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-7-8-6/h5-8H,3-4H2,1-2H3;2*6H,1-5H3;3*5-6H,1-4H3;2*5H,1-4H3,(H,9,10);5-7H,4H2,1-3H3;2*4-6H,1-3H3;4-5H,1-3H3,(H,8,9);4-5H,1-3H3;3-4,6H,5H2,1-2H3;2*3-5H,1-2H3,(H,7,8).
What are the key properties of 1-cyclopropyl-3-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;4,5-dimethyl-3-propan-2-yl-1H-pyrazole;1-ethyl-3-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-yl-2H-pyrrole;1,3,5-trimethyl-4-propan-2-ylpyrazole;1,4,5-trimethyl-3-propan-2-ylpyrazole?
1-cyclopropyl-3-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;4,5-dimethyl-3-propan-2-yl-1H-pyrazole;1-ethyl-3-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-yl-2H-pyrrole;1,3,5-trimethyl-4-propan-2-ylpyrazole;1,4,5-trimethyl-3-propan-2-ylpyrazole has a molecular weight of 2111.21 g/mol, XLogP of 30.30, 18 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;4,5-dimethyl-3-propan-2-yl-1H-pyrazole;1-ethyl-3-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-yl-2H-pyrrole;1,3,5-trimethyl-4-propan-2-ylpyrazole;1,4,5-trimethyl-3-propan-2-ylpyrazole is sourced from PubChem (CID 159820526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).