N-[(1R,2R)-2-hydroxycyclohexyl]-1,3-dimethylpyrazole-4-carboxamide

C12H19N3O2 — CID 104927400

IUPACN-[(1R,2R)-2-hydroxycyclohexyl]-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C12H19N3O2/c1-8-9(7-15(2)14-8)12(17)13-10-5-3-4-6-11(10)16/h7,10-11,16H,3-6H2,1-2H3,(H,13,17)/t10-,11-/m1/s1
InChIKeyPLUJRVOEHVTWBS-GHMZBOCLSA-N
MW237.30 g/mol
LogP0.76
Rot. Bonds2

About N-[(1R,2R)-2-hydroxycyclohexyl]-1,3-dimethylpyrazole-4-carboxamide

N-[(1R,2R)-2-hydroxycyclohexyl]-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 104927400) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxycyclohexyl]-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxycyclohexyl]-1,3-dimethylpyrazole-4-carboxamide
PubChem CID104927400
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-[(1R,2R)-2-hydroxycyclohexyl]-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C12H19N3O2/c1-8-9(7-15(2)14-8)12(17)13-10-5-3-4-6-11(10)16/h7,10-11,16H,3-6H2,1-2H3,(H,13,17)/t10-,11-/m1/s1
InChIKeyPLUJRVOEHVTWBS-GHMZBOCLSA-N
XLogP0.76
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1,3-dimethylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 103790683
N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-1,3-dimethylpyrazole-4-carboxamide
CID 110125125
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-1,3-dimethylpyrazole-4-carboxamide
CID 110125511
N-[2-(aminomethyl)cyclopentyl]-1,3-dimethylpyrazole-4-carboxamide;hydrochloride
CID 119600954
1,3-dimethyl-N-(oxetan-3-yl)pyrazole-4-carboxamide
CID 102801920
N-(2-aminocyclohexyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102810931
N-[(1R,2R)-2-hydroxycyclohexyl]-3,6-dimethylpyridazine-4-carboxamide
CID 104927899
cis-(1R,3S)-3-[(1,3-dimethylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106320903
1,3-dimethyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrazole-4-carboxamide
CID 91776232
N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 104957396
4-amino-1-ethyl-N-[(1S,2S)-2-hydroxycyclohexyl]-3-methylpyrazole-5-carboxamide
CID 107211287
1,3-dimethyl-N-(1-oxa-9-azaspiro[5.5]undecan-5-yl)pyrazole-4-carboxamide;hydrochloride
CID 154922378

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]-1,3-dimethylpyrazole-4-carboxamide (CID 104927400) is N-[(1R,2R)-2-hydroxycyclohexyl]-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxycyclohexyl]-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxycyclohexyl]-1,3-dimethylpyrazole-4-carboxamide is Cc1nn(C)cc1C(=O)N[C@@H]1CCCC[C@H]1O.
What is the InChIKey of N-[(1R,2R)-2-hydroxycyclohexyl]-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is PLUJRVOEHVTWBS-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8-9(7-15(2)14-8)12(17)13-10-5-3-4-6-11(10)16/h7,10-11,16H,3-6H2,1-2H3,(H,13,17)/t10-,11-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxycyclohexyl]-1,3-dimethylpyrazole-4-carboxamide?
N-[(1R,2R)-2-hydroxycyclohexyl]-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxycyclohexyl]-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 104927400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).