(1S)-N-(4-pyrazol-1-ylcyclohexyl)cyclohex-3-ene-1-carboxamide

C16H23N3O — CID 164632830

IUPAC(1S)-N-(4-pyrazol-1-ylcyclohexyl)cyclohex-3-ene-1-carboxamide
SMILESO=C(NC1CCC(n2cccn2)CC1)[C@@H]1CC=CCC1
InChIInChI=1S/C16H23N3O/c20-16(13-5-2-1-3-6-13)18-14-7-9-15(10-8-14)19-12-4-11-17-19/h1-2,4,11-15H,3,5-10H2,(H,18,20)/t13-,14?,15?/m1/s1
InChIKeyRUNWYPHUYITTGY-WLYUNCDWSA-N
MW273.38 g/mol
LogP2.84
Rot. Bonds3

About (1S)-N-(4-pyrazol-1-ylcyclohexyl)cyclohex-3-ene-1-carboxamide

(1S)-N-(4-pyrazol-1-ylcyclohexyl)cyclohex-3-ene-1-carboxamide (PubChem CID 164632830) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is (1S)-N-(4-pyrazol-1-ylcyclohexyl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-(4-pyrazol-1-ylcyclohexyl)cyclohex-3-ene-1-carboxamide
PubChem CID164632830
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name(1S)-N-(4-pyrazol-1-ylcyclohexyl)cyclohex-3-ene-1-carboxamide
SMILESO=C(NC1CCC(n2cccn2)CC1)[C@@H]1CC=CCC1
InChIInChI=1S/C16H23N3O/c20-16(13-5-2-1-3-6-13)18-14-7-9-15(10-8-14)19-12-4-11-17-19/h1-2,4,11-15H,3,5-10H2,(H,18,20)/t13-,14?,15?/m1/s1
InChIKeyRUNWYPHUYITTGY-WLYUNCDWSA-N
XLogP2.84
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1S)-N-(4-pyrazol-1-ylcyclohexyl)cyclohex-3-ene-1-carboxamide with MolForge

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Related Compounds

[(1R)-cyclohex-3-en-1-yl]-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95159169
N-(1-pyridin-2-ylpiperidin-4-yl)cyclohex-3-ene-1-carboxamide
CID 42961571
cis-(1R,3S)-3-(cyclohex-3-ene-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 106320857
N-(1-propan-2-ylpiperidin-4-yl)cyclohex-3-ene-1-carboxamide
CID 42891784
(1S)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]cyclohex-3-ene-1-carboxamide
CID 97415247
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]cyclohex-3-ene-1-carboxamide
CID 46477305
N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]cyclohex-3-ene-1-carboxamide
CID 91626177
1-cyclopentylpyrazole
CID 10844435
2-(4-fluorophenyl)-2-hydroxy-N-(4-pyrazol-1-ylcyclohexyl)acetamide
CID 175640669
(1R)-N-[1-(furan-3-carbonyl)piperidin-4-yl]cyclohex-3-ene-1-carboxamide
CID 30746655
N-(3-hydroxycyclohexyl)cyclohex-3-ene-1-carboxamide
CID 71786222
2-methoxy-N-(4-pyrazol-1-ylcyclohexyl)benzamide
CID 126855667

Frequently Asked Questions

What is the IUPAC name of (1S)-N-(4-pyrazol-1-ylcyclohexyl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1S)-N-(4-pyrazol-1-ylcyclohexyl)cyclohex-3-ene-1-carboxamide (CID 164632830) is (1S)-N-(4-pyrazol-1-ylcyclohexyl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1S)-N-(4-pyrazol-1-ylcyclohexyl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1S)-N-(4-pyrazol-1-ylcyclohexyl)cyclohex-3-ene-1-carboxamide is O=C(NC1CCC(n2cccn2)CC1)[C@@H]1CC=CCC1.
What is the InChIKey of (1S)-N-(4-pyrazol-1-ylcyclohexyl)cyclohex-3-ene-1-carboxamide?
The InChIKey is RUNWYPHUYITTGY-WLYUNCDWSA-N. The full InChI is InChI=1S/C16H23N3O/c20-16(13-5-2-1-3-6-13)18-14-7-9-15(10-8-14)19-12-4-11-17-19/h1-2,4,11-15H,3,5-10H2,(H,18,20)/t13-,14?,15?/m1/s1.
What are the key properties of (1S)-N-(4-pyrazol-1-ylcyclohexyl)cyclohex-3-ene-1-carboxamide?
(1S)-N-(4-pyrazol-1-ylcyclohexyl)cyclohex-3-ene-1-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(4-pyrazol-1-ylcyclohexyl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 164632830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).