cis-(1R,2S)-2-[(1,5-dimethylpyrazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid

C13H19N3O3 — CID 40641940

IUPACcis-(1R,2S)-2-[(1,5-dimethylpyrazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1cc(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)nn1C
InChIInChI=1S/C13H19N3O3/c1-8-7-11(15-16(8)2)14-12(17)9-5-3-4-6-10(9)13(18)19/h7,9-10H,3-6H2,1-2H3,(H,18,19)(H,14,15,17)/t9-,10+/m0/s1
InChIKeyJWONCEYXDFTJHM-VHSXEESVSA-N
MW265.31 g/mol
LogP1.56
Rot. Bonds3

About cis-(1R,2S)-2-[(1,5-dimethylpyrazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid

cis-(1R,2S)-2-[(1,5-dimethylpyrazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 40641940) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is cis-(1R,2S)-2-[(1,5-dimethylpyrazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-2-[(1,5-dimethylpyrazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID40641940
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Namecis-(1R,2S)-2-[(1,5-dimethylpyrazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1cc(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)nn1C
InChIInChI=1S/C13H19N3O3/c1-8-7-11(15-16(8)2)14-12(17)9-5-3-4-6-10(9)13(18)19/h7,9-10H,3-6H2,1-2H3,(H,18,19)(H,14,15,17)/t9-,10+/m0/s1
InChIKeyJWONCEYXDFTJHM-VHSXEESVSA-N
XLogP1.56
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,5-dimethylpyrazol-3-yl)cyclopentanecarboxamide
CID 35761222
(1S,2R,3R,4S)-3-[(1,5-dimethylpyrazol-3-yl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 124714334
2-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 2862512
N-(1,5-dimethylpyrazol-3-yl)oxolane-2-carboxamide
CID 56725172
2-[(1,5-dimethylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 113263276
2-bromo-N-(1,5-dimethylpyrazol-3-yl)acetamide
CID 130496766
2-[(2-cyclopentyl-5-methylpyrazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 91938256
(3S)-N-(1,5-dimethylpyrazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 99805424
cis-(1R,2S)-2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 1008555
cis-(1R,2S)-2-(pyridin-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 756841
2-[(2,5-difluoro-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 103584586
trans-(1S,2S)-2-[[4-[4-[[(1R,2S)-2-carboxycyclohexanecarbonyl]amino]-3-methylphenyl]-2-methylphenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 51622080

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[(1,5-dimethylpyrazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-2-[(1,5-dimethylpyrazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid (CID 40641940) is cis-(1R,2S)-2-[(1,5-dimethylpyrazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-2-[(1,5-dimethylpyrazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-2-[(1,5-dimethylpyrazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid is Cc1cc(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)nn1C.
What is the InChIKey of cis-(1R,2S)-2-[(1,5-dimethylpyrazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is JWONCEYXDFTJHM-VHSXEESVSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-8-7-11(15-16(8)2)14-12(17)9-5-3-4-6-10(9)13(18)19/h7,9-10H,3-6H2,1-2H3,(H,18,19)(H,14,15,17)/t9-,10+/m0/s1.
What are the key properties of cis-(1R,2S)-2-[(1,5-dimethylpyrazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid?
cis-(1R,2S)-2-[(1,5-dimethylpyrazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[(1,5-dimethylpyrazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 40641940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).