4-chloro-1-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;5-ethyl-1-propan-2-yl-1,2,4-triazole;4-fluoro-5-methyl-1-propan-2-ylpyrazole;4-fluoro-1-propan-2-ylpyrazole;hexakis(5-methyl-1-propan-2-ylpyrazole);3-methyl-1-propan-2-yl-1,2,4-triazole;bis(5-methyl-1-propan-2-yl-1,2,4-triazole);1-propan-2-ylpyrazole;1-propan-2-ylpyrazole-4-carbonitrile;1-propan-2-yl-1,2,4-triazole

C111H188ClF2N41 — CID 158146827

IUPAC4-chloro-1-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;5-ethyl-1-propan-2-yl-1,2,4-triazole;4-fluoro-5-methyl-1-propan-2-ylpyrazole;4-fluoro-1-propan-2-ylpyrazole;hexakis(5-methyl-1-propan-2-ylpyrazole);3-methyl-1-propan-2-yl-1,2,4-triazole;bis(5-methyl-1-propan-2-yl-1,2,4-triazole);1-propan-2-ylpyrazole;1-propan-2-ylpyrazole-4-carbonitrile;1-propan-2-yl-1,2,4-triazole
SMILESCC(C)n1cc(C#N)cn1.CC(C)n1cc(Cl)cn1.CC(C)n1cc(F)cn1.CC(C)n1cccn1.CC(C)n1cncn1.CCc1ncnn1C(C)C.Cc1c(F)cnn1C(C)C.Cc1ccnn1C(C)C.Cc1ccnn1C(C)C.Cc1ccnn1C(C)C.Cc1ccnn1C(C)C.Cc1ccnn1C(C)C.Cc1ccnn1C(C)C.Cc1nc(C)n(C(C)C)n1.Cc1ncn(C(C)C)n1.Cc1ncnn1C(C)C.Cc1ncnn1C(C)C
InChIInChI=1S/C7H11FN2.C7H9N3.2C7H13N3.6C7H12N2.C6H9ClN2.C6H9FN2.3C6H11N3.C6H10N2.C5H9N3/c1-5(2)10-6(3)7(8)4-9-10;1-6(2)10-5-7(3-8)4-9-10;1-5(2)10-7(4)8-6(3)9-10;1-4-7-8-5-9-10(7)6(2)3;6*1-6(2)9-7(3)4-5-8-9;2*1-5(2)9-4-6(7)3-8-9;1-5(2)9-4-7-6(3)8-9;2*1-5(2)9-6(3)7-4-8-9;1-6(2)8-5-3-4-7-8;1-5(2)8-4-6-3-7-8/h4-5H,1-3H3;4-6H,1-2H3;5H,1-4H3;5-6H,4H2,1-3H3;6*4-6H,1-3H3;2*3-5H,1-2H3;3*4-5H,1-3H3;3-6H,1-2H3;3-5H,1-2H3
InChIKeyFUPUPZQDLJRGSE-UHFFFAOYSA-N
MW2170.46 g/mol
LogP26.32
Rot. Bonds18

About 4-chloro-1-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;5-ethyl-1-propan-2-yl-1,2,4-triazole;4-fluoro-5-methyl-1-propan-2-ylpyrazole;4-fluoro-1-propan-2-ylpyrazole;hexakis(5-methyl-1-propan-2-ylpyrazole);3-methyl-1-propan-2-yl-1,2,4-triazole;bis(5-methyl-1-propan-2-yl-1,2,4-triazole);1-propan-2-ylpyrazole;1-propan-2-ylpyrazole-4-carbonitrile;1-propan-2-yl-1,2,4-triazole

4-chloro-1-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;5-ethyl-1-propan-2-yl-1,2,4-triazole;4-fluoro-5-methyl-1-propan-2-ylpyrazole;4-fluoro-1-propan-2-ylpyrazole;hexakis(5-methyl-1-propan-2-ylpyrazole);3-methyl-1-propan-2-yl-1,2,4-triazole;bis(5-methyl-1-propan-2-yl-1,2,4-triazole);1-propan-2-ylpyrazole;1-propan-2-ylpyrazole-4-carbonitrile;1-propan-2-yl-1,2,4-triazole (PubChem CID 158146827) has the molecular formula C111H188ClF2N41 and a molecular weight of 2170.46 g/mol. Its IUPAC name is 4-chloro-1-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;5-ethyl-1-propan-2-yl-1,2,4-triazole;4-fluoro-5-methyl-1-propan-2-ylpyrazole;4-fluoro-1-propan-2-ylpyrazole;hexakis(5-methyl-1-propan-2-ylpyrazole);3-methyl-1-propan-2-yl-1,2,4-triazole;bis(5-methyl-1-propan-2-yl-1,2,4-triazole);1-propan-2-ylpyrazole;1-propan-2-ylpyrazole-4-carbonitrile;1-propan-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name4-chloro-1-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;5-ethyl-1-propan-2-yl-1,2,4-triazole;4-fluoro-5-methyl-1-propan-2-ylpyrazole;4-fluoro-1-propan-2-ylpyrazole;hexakis(5-methyl-1-propan-2-ylpyrazole);3-methyl-1-propan-2-yl-1,2,4-triazole;bis(5-methyl-1-propan-2-yl-1,2,4-triazole);1-propan-2-ylpyrazole;1-propan-2-ylpyrazole-4-carbonitrile;1-propan-2-yl-1,2,4-triazole
PubChem CID158146827
Molecular FormulaC111H188ClF2N41
Molecular Weight2170.46 g/mol
Exact Mass2168.56
IUPAC Name4-chloro-1-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;5-ethyl-1-propan-2-yl-1,2,4-triazole;4-fluoro-5-methyl-1-propan-2-ylpyrazole;4-fluoro-1-propan-2-ylpyrazole;hexakis(5-methyl-1-propan-2-ylpyrazole);3-methyl-1-propan-2-yl-1,2,4-triazole;bis(5-methyl-1-propan-2-yl-1,2,4-triazole);1-propan-2-ylpyrazole;1-propan-2-ylpyrazole-4-carbonitrile;1-propan-2-yl-1,2,4-triazole
SMILESCC(C)n1cc(C#N)cn1.CC(C)n1cc(Cl)cn1.CC(C)n1cc(F)cn1.CC(C)n1cccn1.CC(C)n1cncn1.CCc1ncnn1C(C)C.Cc1c(F)cnn1C(C)C.Cc1ccnn1C(C)C.Cc1ccnn1C(C)C.Cc1ccnn1C(C)C.Cc1ccnn1C(C)C.Cc1ccnn1C(C)C.Cc1ccnn1C(C)C.Cc1nc(C)n(C(C)C)n1.Cc1ncn(C(C)C)n1.Cc1ncnn1C(C)C.Cc1ncnn1C(C)C
InChIInChI=1S/C7H11FN2.C7H9N3.2C7H13N3.6C7H12N2.C6H9ClN2.C6H9FN2.3C6H11N3.C6H10N2.C5H9N3/c1-5(2)10-6(3)7(8)4-9-10;1-6(2)10-5-7(3-8)4-9-10;1-5(2)10-7(4)8-6(3)9-10;1-4-7-8-5-9-10(7)6(2)3;6*1-6(2)9-7(3)4-5-8-9;2*1-5(2)9-4-6(7)3-8-9;1-5(2)9-4-7-6(3)8-9;2*1-5(2)9-6(3)7-4-8-9;1-6(2)8-5-3-4-7-8;1-5(2)8-4-6-3-7-8/h4-5H,1-3H3;4-6H,1-2H3;5H,1-4H3;5-6H,4H2,1-3H3;6*4-6H,1-3H3;2*3-5H,1-2H3;3*4-5H,1-3H3;3-6H,1-2H3;3-5H,1-2H3
InChIKeyFUPUPZQDLJRGSE-UHFFFAOYSA-N
XLogP26.32
TPSA404.07 Ų
H-Bond Donors
H-Bond Acceptors41
Rotatable Bonds18
Heavy Atoms155
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002170.46
LogP ≤ 526.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1041

Analyze 4-chloro-1-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;5-ethyl-1-propan-2-yl-1,2,4-triazole;4-fluoro-5-methyl-1-propan-2-ylpyrazole;4-fluoro-1-propan-2-ylpyrazole;hexakis(5-methyl-1-propan-2-ylpyrazole);3-methyl-1-propan-2-yl-1,2,4-triazole;bis(5-methyl-1-propan-2-yl-1,2,4-triazole);1-propan-2-ylpyrazole;1-propan-2-ylpyrazole-4-carbonitrile;1-propan-2-yl-1,2,4-triazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;5-ethyl-1-propan-2-yl-1,2,4-triazole;4-fluoro-5-methyl-1-propan-2-ylpyrazole;4-fluoro-1-propan-2-ylpyrazole;hexakis(5-methyl-1-propan-2-ylpyrazole);3-methyl-1-propan-2-yl-1,2,4-triazole;bis(5-methyl-1-propan-2-yl-1,2,4-triazole);1-propan-2-ylpyrazole;1-propan-2-ylpyrazole-4-carbonitrile;1-propan-2-yl-1,2,4-triazole?
The IUPAC name of 4-chloro-1-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;5-ethyl-1-propan-2-yl-1,2,4-triazole;4-fluoro-5-methyl-1-propan-2-ylpyrazole;4-fluoro-1-propan-2-ylpyrazole;hexakis(5-methyl-1-propan-2-ylpyrazole);3-methyl-1-propan-2-yl-1,2,4-triazole;bis(5-methyl-1-propan-2-yl-1,2,4-triazole);1-propan-2-ylpyrazole;1-propan-2-ylpyrazole-4-carbonitrile;1-propan-2-yl-1,2,4-triazole (CID 158146827) is 4-chloro-1-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;5-ethyl-1-propan-2-yl-1,2,4-triazole;4-fluoro-5-methyl-1-propan-2-ylpyrazole;4-fluoro-1-propan-2-ylpyrazole;hexakis(5-methyl-1-propan-2-ylpyrazole);3-methyl-1-propan-2-yl-1,2,4-triazole;bis(5-methyl-1-propan-2-yl-1,2,4-triazole);1-propan-2-ylpyrazole;1-propan-2-ylpyrazole-4-carbonitrile;1-propan-2-yl-1,2,4-triazole.
What is the SMILES notation for 4-chloro-1-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;5-ethyl-1-propan-2-yl-1,2,4-triazole;4-fluoro-5-methyl-1-propan-2-ylpyrazole;4-fluoro-1-propan-2-ylpyrazole;hexakis(5-methyl-1-propan-2-ylpyrazole);3-methyl-1-propan-2-yl-1,2,4-triazole;bis(5-methyl-1-propan-2-yl-1,2,4-triazole);1-propan-2-ylpyrazole;1-propan-2-ylpyrazole-4-carbonitrile;1-propan-2-yl-1,2,4-triazole?
The canonical SMILES for 4-chloro-1-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;5-ethyl-1-propan-2-yl-1,2,4-triazole;4-fluoro-5-methyl-1-propan-2-ylpyrazole;4-fluoro-1-propan-2-ylpyrazole;hexakis(5-methyl-1-propan-2-ylpyrazole);3-methyl-1-propan-2-yl-1,2,4-triazole;bis(5-methyl-1-propan-2-yl-1,2,4-triazole);1-propan-2-ylpyrazole;1-propan-2-ylpyrazole-4-carbonitrile;1-propan-2-yl-1,2,4-triazole is CC(C)n1cc(C#N)cn1.CC(C)n1cc(Cl)cn1.CC(C)n1cc(F)cn1.CC(C)n1cccn1.CC(C)n1cncn1.CCc1ncnn1C(C)C.Cc1c(F)cnn1C(C)C.Cc1ccnn1C(C)C.Cc1ccnn1C(C)C.Cc1ccnn1C(C)C.Cc1ccnn1C(C)C.Cc1ccnn1C(C)C.Cc1ccnn1C(C)C.Cc1nc(C)n(C(C)C)n1.Cc1ncn(C(C)C)n1.Cc1ncnn1C(C)C.Cc1ncnn1C(C)C.
What is the InChIKey of 4-chloro-1-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;5-ethyl-1-propan-2-yl-1,2,4-triazole;4-fluoro-5-methyl-1-propan-2-ylpyrazole;4-fluoro-1-propan-2-ylpyrazole;hexakis(5-methyl-1-propan-2-ylpyrazole);3-methyl-1-propan-2-yl-1,2,4-triazole;bis(5-methyl-1-propan-2-yl-1,2,4-triazole);1-propan-2-ylpyrazole;1-propan-2-ylpyrazole-4-carbonitrile;1-propan-2-yl-1,2,4-triazole?
The InChIKey is FUPUPZQDLJRGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN2.C7H9N3.2C7H13N3.6C7H12N2.C6H9ClN2.C6H9FN2.3C6H11N3.C6H10N2.C5H9N3/c1-5(2)10-6(3)7(8)4-9-10;1-6(2)10-5-7(3-8)4-9-10;1-5(2)10-7(4)8-6(3)9-10;1-4-7-8-5-9-10(7)6(2)3;6*1-6(2)9-7(3)4-5-8-9;2*1-5(2)9-4-6(7)3-8-9;1-5(2)9-4-7-6(3)8-9;2*1-5(2)9-6(3)7-4-8-9;1-6(2)8-5-3-4-7-8;1-5(2)8-4-6-3-7-8/h4-5H,1-3H3;4-6H,1-2H3;5H,1-4H3;5-6H,4H2,1-3H3;6*4-6H,1-3H3;2*3-5H,1-2H3;3*4-5H,1-3H3;3-6H,1-2H3;3-5H,1-2H3.
What are the key properties of 4-chloro-1-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;5-ethyl-1-propan-2-yl-1,2,4-triazole;4-fluoro-5-methyl-1-propan-2-ylpyrazole;4-fluoro-1-propan-2-ylpyrazole;hexakis(5-methyl-1-propan-2-ylpyrazole);3-methyl-1-propan-2-yl-1,2,4-triazole;bis(5-methyl-1-propan-2-yl-1,2,4-triazole);1-propan-2-ylpyrazole;1-propan-2-ylpyrazole-4-carbonitrile;1-propan-2-yl-1,2,4-triazole?
4-chloro-1-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;5-ethyl-1-propan-2-yl-1,2,4-triazole;4-fluoro-5-methyl-1-propan-2-ylpyrazole;4-fluoro-1-propan-2-ylpyrazole;hexakis(5-methyl-1-propan-2-ylpyrazole);3-methyl-1-propan-2-yl-1,2,4-triazole;bis(5-methyl-1-propan-2-yl-1,2,4-triazole);1-propan-2-ylpyrazole;1-propan-2-ylpyrazole-4-carbonitrile;1-propan-2-yl-1,2,4-triazole has a molecular weight of 2170.46 g/mol, XLogP of 26.32, 18 rotatable bonds, 0 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;5-ethyl-1-propan-2-yl-1,2,4-triazole;4-fluoro-5-methyl-1-propan-2-ylpyrazole;4-fluoro-1-propan-2-ylpyrazole;hexakis(5-methyl-1-propan-2-ylpyrazole);3-methyl-1-propan-2-yl-1,2,4-triazole;bis(5-methyl-1-propan-2-yl-1,2,4-triazole);1-propan-2-ylpyrazole;1-propan-2-ylpyrazole-4-carbonitrile;1-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 158146827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).