N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]cyclohex-3-ene-1-carboxamide

C19H22N4O2 — CID 43068723

IUPACN-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]cyclohex-3-ene-1-carboxamide
SMILESCC(C(=O)Nc1cccc(NC(=O)C2CC=CCC2)c1)n1cccn1
InChIInChI=1S/C19H22N4O2/c1-14(23-12-6-11-20-23)18(24)21-16-9-5-10-17(13-16)22-19(25)15-7-3-2-4-8-15/h2-3,5-6,9-15H,4,7-8H2,1H3,(H,21,24)(H,22,25)
InChIKeyLGFUTKDZAXFFMM-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.38
Rot. Bonds5

About N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]cyclohex-3-ene-1-carboxamide

N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]cyclohex-3-ene-1-carboxamide (PubChem CID 43068723) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]cyclohex-3-ene-1-carboxamide
PubChem CID43068723
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]cyclohex-3-ene-1-carboxamide
SMILESCC(C(=O)Nc1cccc(NC(=O)C2CC=CCC2)c1)n1cccn1
InChIInChI=1S/C19H22N4O2/c1-14(23-12-6-11-20-23)18(24)21-16-9-5-10-17(13-16)22-19(25)15-7-3-2-4-8-15/h2-3,5-6,9-15H,4,7-8H2,1H3,(H,21,24)(H,22,25)
InChIKeyLGFUTKDZAXFFMM-UHFFFAOYSA-N
XLogP3.38
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.38
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-(3-acetamidophenyl)-2-pyrazol-1-ylpropanamide
CID 134060380
2-[[3-(2-pyrazol-1-ylpropanoylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119180632
N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]cyclohex-3-ene-1-carboxamide
CID 43064378
N-[3-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 119717845
(2S,5R)-5-(aminomethyl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]oxolane-2-carboxamide;hydrochloride
CID 120786907
N-phenyl-2-pyrazol-1-ylpropanamide
CID 42949018
2-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 42958661
2-cyano-2-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]propanamide
CID 60529931
N-[3-[(2-phenoxyacetyl)amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 42958650
1-(1,3-benzodioxol-5-yl)-5-oxo-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]pyrrolidine-3-carboxamide
CID 43072155
2-pyrazol-1-yl-N-(3-sulfamoylphenyl)propanamide
CID 61067736
(1S)-N-(3-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide
CID 26975857

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]cyclohex-3-ene-1-carboxamide (CID 43068723) is N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]cyclohex-3-ene-1-carboxamide is CC(C(=O)Nc1cccc(NC(=O)C2CC=CCC2)c1)n1cccn1.
What is the InChIKey of N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is LGFUTKDZAXFFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-14(23-12-6-11-20-23)18(24)21-16-9-5-10-17(13-16)22-19(25)15-7-3-2-4-8-15/h2-3,5-6,9-15H,4,7-8H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]cyclohex-3-ene-1-carboxamide?
N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 43068723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).