N-[3-[(1-methylpyrazol-4-yl)amino]phenyl]cyclopent-3-ene-1-carboxamide

C16H18N4O — CID 71979985

IUPACN-[3-[(1-methylpyrazol-4-yl)amino]phenyl]cyclopent-3-ene-1-carboxamide
SMILESCn1cc(Nc2cccc(NC(=O)C3CC=CC3)c2)cn1
InChIInChI=1S/C16H18N4O/c1-20-11-15(10-17-20)18-13-7-4-8-14(9-13)19-16(21)12-5-2-3-6-12/h2-4,7-12,18H,5-6H2,1H3,(H,19,21)
InChIKeyFAPWFJHEPFWJKB-UHFFFAOYSA-N
MW282.35 g/mol
LogP3.07
Rot. Bonds4

About N-[3-[(1-methylpyrazol-4-yl)amino]phenyl]cyclopent-3-ene-1-carboxamide

N-[3-[(1-methylpyrazol-4-yl)amino]phenyl]cyclopent-3-ene-1-carboxamide (PubChem CID 71979985) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-[3-[(1-methylpyrazol-4-yl)amino]phenyl]cyclopent-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[3-[(1-methylpyrazol-4-yl)amino]phenyl]cyclopent-3-ene-1-carboxamide
PubChem CID71979985
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC NameN-[3-[(1-methylpyrazol-4-yl)amino]phenyl]cyclopent-3-ene-1-carboxamide
SMILESCn1cc(Nc2cccc(NC(=O)C3CC=CC3)c2)cn1
InChIInChI=1S/C16H18N4O/c1-20-11-15(10-17-20)18-13-7-4-8-14(9-13)19-16(21)12-5-2-3-6-12/h2-4,7-12,18H,5-6H2,1H3,(H,19,21)
InChIKeyFAPWFJHEPFWJKB-UHFFFAOYSA-N
XLogP3.07
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 53.07
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

1-[3-[(1-methylpyrazol-4-yl)amino]phenyl]ethanone
CID 82536724
2-(furan-2-yl)-N-[3-[(1-methylpyrazol-4-yl)amino]phenyl]cyclopropane-1-carboxamide
CID 71863784
(3S)-N-[3-[(1-methylpyrazol-4-yl)amino]phenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 96521978
2-amino-N-[3-[(1-methylpyrazol-4-yl)amino]phenyl]-2-(oxan-4-yl)acetamide
CID 120793438
4-(aminomethyl)-N-[3-[(1-methylpyrazol-4-yl)amino]phenyl]oxane-4-carboxamide
CID 120932952
[(2S,6S)-2,6-dimethylthiomorpholin-4-yl]-[3-[(1-methylpyrazol-4-yl)amino]phenyl]methanone
CID 97235719
1-cyclopropylethyl 3-[(1-methylpyrazol-4-yl)amino]benzoate
CID 71906087
1-methyl-N-[3-(trifluoromethyl)phenyl]pyrazol-4-amine
CID 159276710
N-[2-(dimethylamino)pyrimidin-5-yl]-3-[(1-methylpyrazol-4-yl)amino]benzamide
CID 75387829
3-[(1-methylpyrazol-4-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782962
(3R,4S)-N-(3-acetamidophenyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120917163
benzyl 3-[(1-methylpyrazol-4-yl)amino]benzoate
CID 71846936

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1-methylpyrazol-4-yl)amino]phenyl]cyclopent-3-ene-1-carboxamide?
The IUPAC name of N-[3-[(1-methylpyrazol-4-yl)amino]phenyl]cyclopent-3-ene-1-carboxamide (CID 71979985) is N-[3-[(1-methylpyrazol-4-yl)amino]phenyl]cyclopent-3-ene-1-carboxamide.
What is the SMILES notation for N-[3-[(1-methylpyrazol-4-yl)amino]phenyl]cyclopent-3-ene-1-carboxamide?
The canonical SMILES for N-[3-[(1-methylpyrazol-4-yl)amino]phenyl]cyclopent-3-ene-1-carboxamide is Cn1cc(Nc2cccc(NC(=O)C3CC=CC3)c2)cn1.
What is the InChIKey of N-[3-[(1-methylpyrazol-4-yl)amino]phenyl]cyclopent-3-ene-1-carboxamide?
The InChIKey is FAPWFJHEPFWJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-20-11-15(10-17-20)18-13-7-4-8-14(9-13)19-16(21)12-5-2-3-6-12/h2-4,7-12,18H,5-6H2,1H3,(H,19,21).
What are the key properties of N-[3-[(1-methylpyrazol-4-yl)amino]phenyl]cyclopent-3-ene-1-carboxamide?
N-[3-[(1-methylpyrazol-4-yl)amino]phenyl]cyclopent-3-ene-1-carboxamide has a molecular weight of 282.35 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1-methylpyrazol-4-yl)amino]phenyl]cyclopent-3-ene-1-carboxamide is sourced from PubChem (CID 71979985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).