(1S)-N-(5-methyl-2-propylpyrazol-3-yl)cyclohex-3-ene-1-carboxamide

C14H21N3O — CID 164633113

IUPAC(1S)-N-(5-methyl-2-propylpyrazol-3-yl)cyclohex-3-ene-1-carboxamide
SMILESCCCn1nc(C)cc1NC(=O)[C@@H]1CC=CCC1
InChIInChI=1S/C14H21N3O/c1-3-9-17-13(10-11(2)16-17)15-14(18)12-7-5-4-6-8-12/h4-5,10,12H,3,6-9H2,1-2H3,(H,15,18)/t12-/m1/s1
InChIKeyOGRXXRYLXGOESI-GFCCVEGCSA-N
MW247.34 g/mol
LogP2.90
Rot. Bonds4

About (1S)-N-(5-methyl-2-propylpyrazol-3-yl)cyclohex-3-ene-1-carboxamide

(1S)-N-(5-methyl-2-propylpyrazol-3-yl)cyclohex-3-ene-1-carboxamide (PubChem CID 164633113) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is (1S)-N-(5-methyl-2-propylpyrazol-3-yl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-(5-methyl-2-propylpyrazol-3-yl)cyclohex-3-ene-1-carboxamide
PubChem CID164633113
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name(1S)-N-(5-methyl-2-propylpyrazol-3-yl)cyclohex-3-ene-1-carboxamide
SMILESCCCn1nc(C)cc1NC(=O)[C@@H]1CC=CCC1
InChIInChI=1S/C14H21N3O/c1-3-9-17-13(10-11(2)16-17)15-14(18)12-7-5-4-6-8-12/h4-5,10,12H,3,6-9H2,1-2H3,(H,15,18)/t12-/m1/s1
InChIKeyOGRXXRYLXGOESI-GFCCVEGCSA-N
XLogP2.90
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.90
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

2-[5-(cyclopentylmethylamino)-3-methylpyrazol-1-yl]-4-ethyl-1H-pyrimidin-6-one
CID 169018023
4-ethyl-2-[3-methyl-5-[(3-methylcyclohexyl)methylamino]pyrazol-1-yl]-1H-pyrimidin-6-one
CID 169018027
2-[5-(cycloheptylmethylamino)-3-methylpyrazol-1-yl]-4-ethyl-1H-pyrimidin-6-one
CID 169018031
2-[5-(cyclohexylmethylamino)-3-methylpyrazol-1-yl]-4-ethyl-1H-pyrimidin-6-one
CID 169018039
2-[5-(2-cyclopentylethylamino)-3-methylpyrazol-1-yl]-4-ethyl-1H-pyrimidin-6-one
CID 169018046
2-[5-(2-cyclohexylethylamino)-3-methylpyrazol-1-yl]-4-ethyl-1H-pyrimidin-6-one
CID 169018048
N-(3-methyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-5-yl)cyclopentanecarboxamide
CID 135752898
N-[1-(1-ethylpropyl)-3-methyl-1H-pyrazol-5-yl]-2-(tetrahydro-2H-pyran-4-yl)acetamide
CID 46988837
N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 49217836
2-[5-[[(1R)-1-cyclopentylethyl]amino]-3-methylpyrazol-1-yl]-4-ethyl-1H-pyrimidin-6-one
CID 178301972
2-[3-(2-cyclohexylethylamino)-5-methylpyrazol-1-yl]-4-ethyl-1H-pyrimidin-6-one
CID 178302181
2-[3-(cyclopentylmethylamino)-5-methylpyrazol-1-yl]-4-ethyl-1H-pyrimidin-6-one
CID 178304018

Frequently Asked Questions

What is the IUPAC name of (1S)-N-(5-methyl-2-propylpyrazol-3-yl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1S)-N-(5-methyl-2-propylpyrazol-3-yl)cyclohex-3-ene-1-carboxamide (CID 164633113) is (1S)-N-(5-methyl-2-propylpyrazol-3-yl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1S)-N-(5-methyl-2-propylpyrazol-3-yl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1S)-N-(5-methyl-2-propylpyrazol-3-yl)cyclohex-3-ene-1-carboxamide is CCCn1nc(C)cc1NC(=O)[C@@H]1CC=CCC1.
What is the InChIKey of (1S)-N-(5-methyl-2-propylpyrazol-3-yl)cyclohex-3-ene-1-carboxamide?
The InChIKey is OGRXXRYLXGOESI-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H21N3O/c1-3-9-17-13(10-11(2)16-17)15-14(18)12-7-5-4-6-8-12/h4-5,10,12H,3,6-9H2,1-2H3,(H,15,18)/t12-/m1/s1.
What are the key properties of (1S)-N-(5-methyl-2-propylpyrazol-3-yl)cyclohex-3-ene-1-carboxamide?
(1S)-N-(5-methyl-2-propylpyrazol-3-yl)cyclohex-3-ene-1-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(5-methyl-2-propylpyrazol-3-yl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 164633113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).