1-[(1R,2R)-2-hydroxycyclohexyl]pyrazole-4-carboxylic acid

C10H14N2O3 — CID 94560602

IUPAC1-[(1R,2R)-2-hydroxycyclohexyl]pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn([C@@H]2CCCC[C@H]2O)c1
InChIInChI=1S/C10H14N2O3/c13-9-4-2-1-3-8(9)12-6-7(5-11-12)10(14)15/h5-6,8-9,13H,1-4H2,(H,14,15)/t8-,9-/m1/s1
InChIKeyZKSQQZWDLKIUSO-RKDXNWHRSA-N
MW210.23 g/mol
LogP1.06
Rot. Bonds2

About 1-[(1R,2R)-2-hydroxycyclohexyl]pyrazole-4-carboxylic acid

1-[(1R,2R)-2-hydroxycyclohexyl]pyrazole-4-carboxylic acid (PubChem CID 94560602) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 1-[(1R,2R)-2-hydroxycyclohexyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[(1R,2R)-2-hydroxycyclohexyl]pyrazole-4-carboxylic acid
PubChem CID94560602
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name1-[(1R,2R)-2-hydroxycyclohexyl]pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn([C@@H]2CCCC[C@H]2O)c1
InChIInChI=1S/C10H14N2O3/c13-9-4-2-1-3-8(9)12-6-7(5-11-12)10(14)15/h5-6,8-9,13H,1-4H2,(H,14,15)/t8-,9-/m1/s1
InChIKeyZKSQQZWDLKIUSO-RKDXNWHRSA-N
XLogP1.06
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyl-1H-pyrazole-4-carboxylic acid
CID 19620020
1-(2-hydroxyethyl)-1H-pyrazole-4-carboxylic acid
CID 19621868
1-cyclohexyl-1H-pyrazole-4-carboxylic acid
CID 51491571
1-(oxan-4-yl)-1H-pyrazole-4-carboxylic acid
CID 56604619
1-(2-hydroxyethyl)-1H-pyrazole-4-carboxylic acid hydrochloride
CID 132344153
1-[3-(Trifluoromethoxy)cyclobutyl]pyrazole-4-carboxylic acid
CID 155257036
1-(4-Fluorocyclohexyl)pyrazole-4-carboxylic acid
CID 84734670
1-(2-Fluorocyclohexyl)pyrazole-4-carboxylic acid
CID 84734673
1-(3-Fluorocyclohexyl)pyrazole-4-carboxylic acid
CID 84734674
1-(4,4-Difluorocyclohexyl)pyrazole-4-carboxylic acid
CID 84736126
1-(2,2-Difluorocyclohexyl)pyrazole-4-carboxylic acid
CID 84736129
1-(3,3-Difluorocyclohexyl)pyrazole-4-carboxylic acid
CID 84736130

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-hydroxycyclohexyl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-[(1R,2R)-2-hydroxycyclohexyl]pyrazole-4-carboxylic acid (CID 94560602) is 1-[(1R,2R)-2-hydroxycyclohexyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[(1R,2R)-2-hydroxycyclohexyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-[(1R,2R)-2-hydroxycyclohexyl]pyrazole-4-carboxylic acid is O=C(O)c1cnn([C@@H]2CCCC[C@H]2O)c1.
What is the InChIKey of 1-[(1R,2R)-2-hydroxycyclohexyl]pyrazole-4-carboxylic acid?
The InChIKey is ZKSQQZWDLKIUSO-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H14N2O3/c13-9-4-2-1-3-8(9)12-6-7(5-11-12)10(14)15/h5-6,8-9,13H,1-4H2,(H,14,15)/t8-,9-/m1/s1.
What are the key properties of 1-[(1R,2R)-2-hydroxycyclohexyl]pyrazole-4-carboxylic acid?
1-[(1R,2R)-2-hydroxycyclohexyl]pyrazole-4-carboxylic acid has a molecular weight of 210.23 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-hydroxycyclohexyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 94560602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).