6-[(1,5-dimethylpyrazol-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

C13H17N3O3 — CID 19575772

IUPAC6-[(1,5-dimethylpyrazol-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
SMILESCc1c(NC(=O)C2CC=CCC2C(=O)O)cnn1C
InChIInChI=1S/C13H17N3O3/c1-8-11(7-14-16(8)2)15-12(17)9-5-3-4-6-10(9)13(18)19/h3-4,7,9-10H,5-6H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyNGOSKKLZHXAELZ-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.33
Rot. Bonds3

About 6-[(1,5-dimethylpyrazol-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

6-[(1,5-dimethylpyrazol-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid (PubChem CID 19575772) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 6-[(1,5-dimethylpyrazol-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name6-[(1,5-dimethylpyrazol-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
PubChem CID19575772
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name6-[(1,5-dimethylpyrazol-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
SMILESCc1c(NC(=O)C2CC=CCC2C(=O)O)cnn1C
InChIInChI=1S/C13H17N3O3/c1-8-11(7-14-16(8)2)15-12(17)9-5-3-4-6-10(9)13(18)19/h3-4,7,9-10H,5-6H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyNGOSKKLZHXAELZ-UHFFFAOYSA-N
XLogP1.33
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(1,5-dimethylpyrazol-4-yl)-2-phenylcyclopropane-1-carboxamide
CID 19399771
(1S,6S)-6-[[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 51851312
6-[(1,3-dimethylpyrazol-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 19620255
N-(1,5-dimethylpyrazol-4-yl)acetamide
CID 19399796
(1S,6R)-6-[(2,6-dimethyl-3-pyridinyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 104962558
3-[[(1S,6S)-6-carboxycyclohex-3-ene-1-carbonyl]amino]-4-methylbenzoic acid
CID 747110
(1R,6R)-6-[(2,5-dimethylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 690367
N-(1,5-dimethylpyrazol-4-yl)bicyclo[1.1.0]butane-1-carboxamide
CID 167932355
(1R,6S)-6-[(3,5-dimethylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 6942206
N-(1,5-dimethylpyrazol-4-yl)-1-methylsulfonylpiperidine-4-carboxamide
CID 19399779
6-[[2-(dimethylamino)-3-pyridinyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 60941713
(1R,6R)-6-[(2-chloro-4-methylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 40872987

Frequently Asked Questions

What is the IUPAC name of 6-[(1,5-dimethylpyrazol-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid?
The IUPAC name of 6-[(1,5-dimethylpyrazol-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid (CID 19575772) is 6-[(1,5-dimethylpyrazol-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for 6-[(1,5-dimethylpyrazol-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for 6-[(1,5-dimethylpyrazol-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid is Cc1c(NC(=O)C2CC=CCC2C(=O)O)cnn1C.
What is the InChIKey of 6-[(1,5-dimethylpyrazol-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid?
The InChIKey is NGOSKKLZHXAELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-8-11(7-14-16(8)2)15-12(17)9-5-3-4-6-10(9)13(18)19/h3-4,7,9-10H,5-6H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 6-[(1,5-dimethylpyrazol-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid?
6-[(1,5-dimethylpyrazol-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid has a molecular weight of 263.30 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1,5-dimethylpyrazol-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 19575772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).