(1R,3R,4S)-4-hydroxy-3-methoxy-N-(2-pyrazol-1-ylethyl)cyclohexane-1-carboxamide

C13H21N3O3 — CID 135105960

IUPAC(1R,3R,4S)-4-hydroxy-3-methoxy-N-(2-pyrazol-1-ylethyl)cyclohexane-1-carboxamide
SMILESCO[C@@H]1C[C@H](C(=O)NCCn2cccn2)CC[C@@H]1O
InChIInChI=1S/C13H21N3O3/c1-19-12-9-10(3-4-11(12)17)13(18)14-6-8-16-7-2-5-15-16/h2,5,7,10-12,17H,3-4,6,8-9H2,1H3,(H,14,18)/t10-,11+,12-/m1/s1
InChIKeyFMBIXFZALBWCST-GRYCIOLGSA-N
MW267.33 g/mol
LogP0.18
Rot. Bonds5

About (1R,3R,4S)-4-hydroxy-3-methoxy-N-(2-pyrazol-1-ylethyl)cyclohexane-1-carboxamide

(1R,3R,4S)-4-hydroxy-3-methoxy-N-(2-pyrazol-1-ylethyl)cyclohexane-1-carboxamide (PubChem CID 135105960) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is (1R,3R,4S)-4-hydroxy-3-methoxy-N-(2-pyrazol-1-ylethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name(1R,3R,4S)-4-hydroxy-3-methoxy-N-(2-pyrazol-1-ylethyl)cyclohexane-1-carboxamide
PubChem CID135105960
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name(1R,3R,4S)-4-hydroxy-3-methoxy-N-(2-pyrazol-1-ylethyl)cyclohexane-1-carboxamide
SMILESCO[C@@H]1C[C@H](C(=O)NCCn2cccn2)CC[C@@H]1O
InChIInChI=1S/C13H21N3O3/c1-19-12-9-10(3-4-11(12)17)13(18)14-6-8-16-7-2-5-15-16/h2,5,7,10-12,17H,3-4,6,8-9H2,1H3,(H,14,18)/t10-,11+,12-/m1/s1
InChIKeyFMBIXFZALBWCST-GRYCIOLGSA-N
XLogP0.18
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1S,3R,4R)-3-amino-4-methoxy-N-(3-pyrazol-1-ylpropyl)cyclohexane-1-carboxamide
CID 155508081
4-(2-pyrazol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784513
N-[(1R,2R,4S)-2-methoxy-4-(2-pyrazol-1-ylethylcarbamoyl)cyclohexyl]-6-oxo-1H-pyrazine-2-carboxamide
CID 162632981
3-(2-pyrazol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784343
(2S,4S)-4-methoxy-1-methyl-N-(2-pyrazol-1-ylethyl)pyrrolidine-2-carboxamide
CID 128980203
(1R,3R,4S)-4-hydroxy-3-methoxy-N-(2-pyridin-3-ylethyl)cyclohexane-1-carboxamide
CID 135095882
(1R,3R,4S)-4-hydroxy-3-methoxy-N-[2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)ethyl]cyclohexane-1-carboxamide
CID 135106333
5-(methoxymethyl)-N-[(1R,3S)-3-(2-pyrazol-1-ylethylcarbamoyl)cyclopentyl]furan-2-carboxamide
CID 70709236
N-[(1S,2S,4S)-2-hydroxy-4-(2-pyrazol-1-ylethylcarbamoyl)cyclohexyl]-6-oxo-1H-pyridine-2-carboxamide
CID 157014672
(1S,3R,4R)-4-(methanesulfonamido)-3-methoxy-N-[2-(1,2,4-triazol-1-yl)ethyl]cyclohexane-1-carboxamide
CID 162625671
N-[2-[[N'-methyl-N-(3-pyrazol-1-ylpropyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111904643
(1S,3R,4R)-4-hydroxy-N-[2-(3-methyl-2-pyridinyl)ethyl]-3-(3-pyrazol-1-ylpropanoylamino)cyclohexane-1-carboxamide
CID 162629062

Frequently Asked Questions

What is the IUPAC name of (1R,3R,4S)-4-hydroxy-3-methoxy-N-(2-pyrazol-1-ylethyl)cyclohexane-1-carboxamide?
The IUPAC name of (1R,3R,4S)-4-hydroxy-3-methoxy-N-(2-pyrazol-1-ylethyl)cyclohexane-1-carboxamide (CID 135105960) is (1R,3R,4S)-4-hydroxy-3-methoxy-N-(2-pyrazol-1-ylethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for (1R,3R,4S)-4-hydroxy-3-methoxy-N-(2-pyrazol-1-ylethyl)cyclohexane-1-carboxamide?
The canonical SMILES for (1R,3R,4S)-4-hydroxy-3-methoxy-N-(2-pyrazol-1-ylethyl)cyclohexane-1-carboxamide is CO[C@@H]1C[C@H](C(=O)NCCn2cccn2)CC[C@@H]1O.
What is the InChIKey of (1R,3R,4S)-4-hydroxy-3-methoxy-N-(2-pyrazol-1-ylethyl)cyclohexane-1-carboxamide?
The InChIKey is FMBIXFZALBWCST-GRYCIOLGSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-19-12-9-10(3-4-11(12)17)13(18)14-6-8-16-7-2-5-15-16/h2,5,7,10-12,17H,3-4,6,8-9H2,1H3,(H,14,18)/t10-,11+,12-/m1/s1.
What are the key properties of (1R,3R,4S)-4-hydroxy-3-methoxy-N-(2-pyrazol-1-ylethyl)cyclohexane-1-carboxamide?
(1R,3R,4S)-4-hydroxy-3-methoxy-N-(2-pyrazol-1-ylethyl)cyclohexane-1-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,4S)-4-hydroxy-3-methoxy-N-(2-pyrazol-1-ylethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 135105960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).