2-[(2-cyclopentyl-5-methylpyrazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid

C17H25N3O3 — CID 91938256

IUPAC2-[(2-cyclopentyl-5-methylpyrazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1cc(NC(=O)C2CCCCC2C(=O)O)n(C2CCCC2)n1
InChIInChI=1S/C17H25N3O3/c1-11-10-15(20(19-11)12-6-2-3-7-12)18-16(21)13-8-4-5-9-14(13)17(22)23/h10,12-14H,2-9H2,1H3,(H,18,21)(H,22,23)
InChIKeyUVABWQCNNNMKQR-UHFFFAOYSA-N
MW319.40 g/mol
LogP3.14
Rot. Bonds4

About 2-[(2-cyclopentyl-5-methylpyrazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid

2-[(2-cyclopentyl-5-methylpyrazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 91938256) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is 2-[(2-cyclopentyl-5-methylpyrazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-cyclopentyl-5-methylpyrazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID91938256
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name2-[(2-cyclopentyl-5-methylpyrazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1cc(NC(=O)C2CCCCC2C(=O)O)n(C2CCCC2)n1
InChIInChI=1S/C17H25N3O3/c1-11-10-15(20(19-11)12-6-2-3-7-12)18-16(21)13-8-4-5-9-14(13)17(22)23/h10,12-14H,2-9H2,1H3,(H,18,21)(H,22,23)
InChIKeyUVABWQCNNNMKQR-UHFFFAOYSA-N
XLogP3.14
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(2-cyclopentyl-5-methylpyrazol-3-yl)-2-methylbutanamide
CID 39891309
(3S)-N-(2-cyclohexyl-5-methylpyrazol-3-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 29086908
cis-(1R,2S)-2-[(1,5-dimethylpyrazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 40641940
N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(4-phenylphenyl)acetamide
CID 155523538
N-(2-cyclopentyl-5-methylpyrazol-3-yl)-2-fluorobenzamide
CID 39853458
3-(4-chlorophenyl)-N-(2-cyclopentyl-5-methylpyrazol-3-yl)propanamide
CID 35593226
2-[(2-cyclopentyl-5-methylpyrazol-3-yl)carbamoylamino]-N-methyl-2-phenylacetamide
CID 72880120
(3R)-N-(2-cyclohexyl-5-methylpyrazol-3-yl)-3-methoxypiperidine-1-carboxamide
CID 125171891
2-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 2862512
2-(3,5-dimethylpyrazol-1-yl)cyclohexane-1-carbohydrazide
CID 67468975
N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(4-methyl-3-phenylpyrazol-1-yl)acetamide
CID 46998017
N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(4-phenyltriazol-1-yl)acetamide
CID 155526355

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopentyl-5-methylpyrazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(2-cyclopentyl-5-methylpyrazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid (CID 91938256) is 2-[(2-cyclopentyl-5-methylpyrazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-cyclopentyl-5-methylpyrazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(2-cyclopentyl-5-methylpyrazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid is Cc1cc(NC(=O)C2CCCCC2C(=O)O)n(C2CCCC2)n1.
What is the InChIKey of 2-[(2-cyclopentyl-5-methylpyrazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is UVABWQCNNNMKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-11-10-15(20(19-11)12-6-2-3-7-12)18-16(21)13-8-4-5-9-14(13)17(22)23/h10,12-14H,2-9H2,1H3,(H,18,21)(H,22,23).
What are the key properties of 2-[(2-cyclopentyl-5-methylpyrazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid?
2-[(2-cyclopentyl-5-methylpyrazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 319.40 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopentyl-5-methylpyrazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 91938256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).