1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclohexane-1-carboxylic acid

C15H24N2O2 — CID 64783845

IUPAC1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclohexane-1-carboxylic acid
SMILESCCC(C)n1ccc(CC2(C(=O)O)CCCCC2)n1
InChIInChI=1S/C15H24N2O2/c1-3-12(2)17-10-7-13(16-17)11-15(14(18)19)8-5-4-6-9-15/h7,10,12H,3-6,8-9,11H2,1-2H3,(H,18,19)
InChIKeyOPDVZHVSUOPTKI-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.43
Rot. Bonds5

About 1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclohexane-1-carboxylic acid

1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclohexane-1-carboxylic acid (PubChem CID 64783845) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclohexane-1-carboxylic acid
PubChem CID64783845
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclohexane-1-carboxylic acid
SMILESCCC(C)n1ccc(CC2(C(=O)O)CCCCC2)n1
InChIInChI=1S/C15H24N2O2/c1-3-12(2)17-10-7-13(16-17)11-15(14(18)19)8-5-4-6-9-15/h7,10,12H,3-6,8-9,11H2,1-2H3,(H,18,19)
InChIKeyOPDVZHVSUOPTKI-UHFFFAOYSA-N
XLogP3.43
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

rac-(1R,2R)-2-(1-methyl-1H-pyrazol-5-yl)cyclopropane-1-carboxylic acid
CID 124602659
2-(1-methyl-1H-pyrazol-3-yl)cyclopropane-1-carboxylic acid
CID 129321797
3-(1-methyl-1H-pyrazol-3-yl)propanoic acid
CID 19622629
3-(1-methyl-1H-pyrazol-5-yl)propanoic acid
CID 19622632
4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-5-carboxylic acid
CID 83680740
3-(1-methyl-4,5,6,7-tetrahydro-1H-indazol-6-yl)propanoic acid
CID 82395372
rac-(1R,2R)-2-[1-(propan-2-yl)-1H-pyrazol-5-yl]cyclopropane-1-carboxylic acid
CID 124745805
(2S)-4-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]pentanoic acid
CID 124510723
3,3-dimethyl-5-[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]pentanoic acid
CID 164638209
2-(1-Methylpyrazol-3-yl)cyclopropane-1-carboxylic acid
CID 126855068
10-[3-(Difluoromethyl)-1-methylpyrazol-4-yl]decanoic acid
CID 151496225
(2R)-2-methyl-3-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]propanoic acid
CID 169712391

Frequently Asked Questions

What is the IUPAC name of 1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclohexane-1-carboxylic acid (CID 64783845) is 1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclohexane-1-carboxylic acid is CCC(C)n1ccc(CC2(C(=O)O)CCCCC2)n1.
What is the InChIKey of 1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclohexane-1-carboxylic acid?
The InChIKey is OPDVZHVSUOPTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-3-12(2)17-10-7-13(16-17)11-15(14(18)19)8-5-4-6-9-15/h7,10,12H,3-6,8-9,11H2,1-2H3,(H,18,19).
What are the key properties of 1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclohexane-1-carboxylic acid?
1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclohexane-1-carboxylic acid has a molecular weight of 264.37 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 64783845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).