(1R)-N-(2-propylpyrazol-3-yl)cyclohex-3-ene-1-carboxamide

C13H19N3O — CID 38995892

IUPAC(1R)-N-(2-propylpyrazol-3-yl)cyclohex-3-ene-1-carboxamide
SMILESCCCn1nccc1NC(=O)[C@H]1CC=CCC1
InChIInChI=1S/C13H19N3O/c1-2-10-16-12(8-9-14-16)15-13(17)11-6-4-3-5-7-11/h3-4,8-9,11H,2,5-7,10H2,1H3,(H,15,17)/t11-/m0/s1
InChIKeyYAAKWRRNXVQBLB-NSHDSACASA-N
MW233.31 g/mol
LogP2.59
Rot. Bonds4

About (1R)-N-(2-propylpyrazol-3-yl)cyclohex-3-ene-1-carboxamide

(1R)-N-(2-propylpyrazol-3-yl)cyclohex-3-ene-1-carboxamide (PubChem CID 38995892) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is (1R)-N-(2-propylpyrazol-3-yl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-(2-propylpyrazol-3-yl)cyclohex-3-ene-1-carboxamide
PubChem CID38995892
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name(1R)-N-(2-propylpyrazol-3-yl)cyclohex-3-ene-1-carboxamide
SMILESCCCn1nccc1NC(=O)[C@H]1CC=CCC1
InChIInChI=1S/C13H19N3O/c1-2-10-16-12(8-9-14-16)15-13(17)11-6-4-3-5-7-11/h3-4,8-9,11H,2,5-7,10H2,1H3,(H,15,17)/t11-/m0/s1
InChIKeyYAAKWRRNXVQBLB-NSHDSACASA-N
XLogP2.59
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]cyclohex-3-ene-1-carboxamide
CID 47047221
1-N,4-N-bis[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]cyclohexane-1,4-dicarboxamide
CID 167816670
N-(cyclohex-3-en-1-ylmethyl)-2-propylpyrazol-3-amine
CID 115756665
N-(2-butylpyrazol-3-yl)piperidine-4-carboxamide
CID 119286988
N-(2-butylpyrazol-3-yl)piperidine-3-carboxamide
CID 119286994
1-(5-bromothiophen-2-yl)sulfonyl-N-(2-propylpyrazol-3-yl)piperidine-4-carboxamide
CID 55655780
N-(2-propylpyrazol-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 127447830
N-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]cyclohex-3-ene-1-carboxamide
CID 171577227
(1R)-N-(2-ethoxy-3-pyridinyl)cyclohex-3-ene-1-carboxamide
CID 34880061
N'-(cyclohex-3-ene-1-carbonyl)-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 42888146
2-[cyclohexyl(2-hydroxyethyl)amino]-N-(2-propylpyrazol-3-yl)acetamide
CID 111461985
N-(4-acetamidophenyl)cyclohex-3-ene-1-carboxamide
CID 17394995

Frequently Asked Questions

What is the IUPAC name of (1R)-N-(2-propylpyrazol-3-yl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1R)-N-(2-propylpyrazol-3-yl)cyclohex-3-ene-1-carboxamide (CID 38995892) is (1R)-N-(2-propylpyrazol-3-yl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1R)-N-(2-propylpyrazol-3-yl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1R)-N-(2-propylpyrazol-3-yl)cyclohex-3-ene-1-carboxamide is CCCn1nccc1NC(=O)[C@H]1CC=CCC1.
What is the InChIKey of (1R)-N-(2-propylpyrazol-3-yl)cyclohex-3-ene-1-carboxamide?
The InChIKey is YAAKWRRNXVQBLB-NSHDSACASA-N. The full InChI is InChI=1S/C13H19N3O/c1-2-10-16-12(8-9-14-16)15-13(17)11-6-4-3-5-7-11/h3-4,8-9,11H,2,5-7,10H2,1H3,(H,15,17)/t11-/m0/s1.
What are the key properties of (1R)-N-(2-propylpyrazol-3-yl)cyclohex-3-ene-1-carboxamide?
(1R)-N-(2-propylpyrazol-3-yl)cyclohex-3-ene-1-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(2-propylpyrazol-3-yl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 38995892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).