(E)-3-(4-cyanophenyl)-N-(1H-pyrazol-4-yl)prop-2-enamide

C13H10N4O — CID 43540424

IUPAC(E)-3-(4-cyanophenyl)-N-(1H-pyrazol-4-yl)prop-2-enamide
SMILESN#Cc1ccc(/C=C/C(=O)Nc2cn[nH]c2)cc1
InChIInChI=1S/C13H10N4O/c14-7-11-3-1-10(2-4-11)5-6-13(18)17-12-8-15-16-9-12/h1-6,8-9H,(H,15,16)(H,17,18)/b6-5+
InChIKeyNAAVQFOBPBFNFH-AATRIKPKSA-N
MW238.25 g/mol
LogP1.93
Rot. Bonds3

About (E)-3-(4-cyanophenyl)-N-(1H-pyrazol-4-yl)prop-2-enamide

(E)-3-(4-cyanophenyl)-N-(1H-pyrazol-4-yl)prop-2-enamide (PubChem CID 43540424) has the molecular formula C13H10N4O and a molecular weight of 238.25 g/mol. Its IUPAC name is (E)-3-(4-cyanophenyl)-N-(1H-pyrazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-cyanophenyl)-N-(1H-pyrazol-4-yl)prop-2-enamide
PubChem CID43540424
Molecular FormulaC13H10N4O
Molecular Weight238.25 g/mol
Exact Mass238.09
IUPAC Name(E)-3-(4-cyanophenyl)-N-(1H-pyrazol-4-yl)prop-2-enamide
SMILESN#Cc1ccc(/C=C/C(=O)Nc2cn[nH]c2)cc1
InChIInChI=1S/C13H10N4O/c14-7-11-3-1-10(2-4-11)5-6-13(18)17-12-8-15-16-9-12/h1-6,8-9H,(H,15,16)(H,17,18)/b6-5+
InChIKeyNAAVQFOBPBFNFH-AATRIKPKSA-N
XLogP1.93
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(4-cyanophenyl)-3-(4-methylphenyl)prop-2-enamide
CID 917674
(E)-3-(4-cyanophenyl)-N-(3,5-dimethoxyphenyl)prop-2-enamide
CID 9096818
(E)-3-(3-bromophenyl)-N-(1H-pyrazol-4-yl)prop-2-enamide
CID 43430724
(E)-3-(4-cyanophenyl)-N-[4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 134131212
3-(3-methoxyphenyl)-N-(1H-pyrazol-4-yl)prop-2-enamide
CID 47177700
(E)-3-(4-cyanophenyl)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]prop-2-enamide
CID 51098152
3-(4-cyanophenyl)-N-(2-fluorophenyl)prop-2-enamide
CID 71904483
(E)-3-(4-cyanophenyl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]prop-2-enamide
CID 26746912
N'-[(E)-3-(4-cyanophenyl)prop-2-enoyl]pyrazine-2-carbohydrazide
CID 24618561
4-[(E)-3-oxobut-1-enyl]benzonitrile
CID 11126721
N-(4-cyanophenyl)-3-thiophen-2-ylprop-2-enamide
CID 3662028
(E)-N-(4-cyanophenyl)-3-thiophen-2-ylprop-2-enamide
CID 2389446

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-cyanophenyl)-N-(1H-pyrazol-4-yl)prop-2-enamide?
The IUPAC name of (E)-3-(4-cyanophenyl)-N-(1H-pyrazol-4-yl)prop-2-enamide (CID 43540424) is (E)-3-(4-cyanophenyl)-N-(1H-pyrazol-4-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-cyanophenyl)-N-(1H-pyrazol-4-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-cyanophenyl)-N-(1H-pyrazol-4-yl)prop-2-enamide is N#Cc1ccc(/C=C/C(=O)Nc2cn[nH]c2)cc1.
What is the InChIKey of (E)-3-(4-cyanophenyl)-N-(1H-pyrazol-4-yl)prop-2-enamide?
The InChIKey is NAAVQFOBPBFNFH-AATRIKPKSA-N. The full InChI is InChI=1S/C13H10N4O/c14-7-11-3-1-10(2-4-11)5-6-13(18)17-12-8-15-16-9-12/h1-6,8-9H,(H,15,16)(H,17,18)/b6-5+.
What are the key properties of (E)-3-(4-cyanophenyl)-N-(1H-pyrazol-4-yl)prop-2-enamide?
(E)-3-(4-cyanophenyl)-N-(1H-pyrazol-4-yl)prop-2-enamide has a molecular weight of 238.25 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-cyanophenyl)-N-(1H-pyrazol-4-yl)prop-2-enamide is sourced from PubChem (CID 43540424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).