4-[(4-hydroxypyrazol-1-yl)methyl]cyclohexane-1-carboxylic acid

C11H16N2O3 — CID 82391848

IUPAC4-[(4-hydroxypyrazol-1-yl)methyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(Cn2cc(O)cn2)CC1
InChIInChI=1S/C11H16N2O3/c14-10-5-12-13(7-10)6-8-1-3-9(4-2-8)11(15)16/h5,7-9,14H,1-4,6H2,(H,15,16)
InChIKeyILYZGFJNCNUCII-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.48
Rot. Bonds3

About 4-[(4-hydroxypyrazol-1-yl)methyl]cyclohexane-1-carboxylic acid

4-[(4-hydroxypyrazol-1-yl)methyl]cyclohexane-1-carboxylic acid (PubChem CID 82391848) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-[(4-hydroxypyrazol-1-yl)methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(4-hydroxypyrazol-1-yl)methyl]cyclohexane-1-carboxylic acid
PubChem CID82391848
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name4-[(4-hydroxypyrazol-1-yl)methyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(Cn2cc(O)cn2)CC1
InChIInChI=1S/C11H16N2O3/c14-10-5-12-13(7-10)6-8-1-3-9(4-2-8)11(15)16/h5,7-9,14H,1-4,6H2,(H,15,16)
InChIKeyILYZGFJNCNUCII-UHFFFAOYSA-N
XLogP1.48
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-ol
CID 117124738
1-[(3,3-difluorocyclopentyl)methyl]pyrazol-4-ol
CID 130487700
4-[1-(cyclopropylmethyl)pyrazol-4-yl]benzoic acid
CID 122555883
1-[1-(cyclopropylmethyl)pyrazol-4-yl]-2,2,2-trifluoroethanone
CID 63755688
1-(2-bicyclo[2.2.1]heptanylmethyl)pyrazol-4-ol
CID 116799471
1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-4-ol
CID 116799380
1-(cyclopropylmethyl)pyrazole-4-carbaldehyde
CID 62726510
1-[1-(cyclobutylmethyl)pyrazol-4-yl]propan-1-one
CID 65462054
1-[(1-methylpiperidin-2-yl)methyl]pyrazol-4-ol
CID 117124769
4-[(4-aminopyrazol-1-yl)methyl]piperidine-1-carboxylic acid
CID 174878314
1-[1-(cyclopentylmethyl)pyrazol-4-yl]ethanone
CID 62727814
6-[1-(cyclopropylmethyl)pyrazol-4-yl]naphthalene-2-carboxylic acid
CID 172868753

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxypyrazol-1-yl)methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(4-hydroxypyrazol-1-yl)methyl]cyclohexane-1-carboxylic acid (CID 82391848) is 4-[(4-hydroxypyrazol-1-yl)methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(4-hydroxypyrazol-1-yl)methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(4-hydroxypyrazol-1-yl)methyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(Cn2cc(O)cn2)CC1.
What is the InChIKey of 4-[(4-hydroxypyrazol-1-yl)methyl]cyclohexane-1-carboxylic acid?
The InChIKey is ILYZGFJNCNUCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c14-10-5-12-13(7-10)6-8-1-3-9(4-2-8)11(15)16/h5,7-9,14H,1-4,6H2,(H,15,16).
What are the key properties of 4-[(4-hydroxypyrazol-1-yl)methyl]cyclohexane-1-carboxylic acid?
4-[(4-hydroxypyrazol-1-yl)methyl]cyclohexane-1-carboxylic acid has a molecular weight of 224.26 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxypyrazol-1-yl)methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 82391848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).