(E)-N-[1-(cyclopropylmethyl)-4-methylpyrazol-5-yl]-3-phenylprop-2-enamide

C17H19N3O — CID 51098826

IUPAC(E)-N-[1-(cyclopropylmethyl)-4-methylpyrazol-5-yl]-3-phenylprop-2-enamide
SMILESCc1cnn(CC2CC2)c1NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C17H19N3O/c1-13-11-18-20(12-15-7-8-15)17(13)19-16(21)10-9-14-5-3-2-4-6-14/h2-6,9-11,15H,7-8,12H2,1H3,(H,19,21)/b10-9+
InChIKeyWVCHJGFWRDTVGV-MDZDMXLPSA-N
MW281.36 g/mol
LogP3.25
Rot. Bonds5

About (E)-N-[1-(cyclopropylmethyl)-4-methylpyrazol-5-yl]-3-phenylprop-2-enamide

(E)-N-[1-(cyclopropylmethyl)-4-methylpyrazol-5-yl]-3-phenylprop-2-enamide (PubChem CID 51098826) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is (E)-N-[1-(cyclopropylmethyl)-4-methylpyrazol-5-yl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[1-(cyclopropylmethyl)-4-methylpyrazol-5-yl]-3-phenylprop-2-enamide
PubChem CID51098826
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name(E)-N-[1-(cyclopropylmethyl)-4-methylpyrazol-5-yl]-3-phenylprop-2-enamide
SMILESCc1cnn(CC2CC2)c1NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C17H19N3O/c1-13-11-18-20(12-15-7-8-15)17(13)19-16(21)10-9-14-5-3-2-4-6-14/h2-6,9-11,15H,7-8,12H2,1H3,(H,19,21)/b10-9+
InChIKeyWVCHJGFWRDTVGV-MDZDMXLPSA-N
XLogP3.25
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[1-(cyclopropylmethyl)indazol-5-yl]-N-[2-(methanesulfonamido)phenyl]prop-2-enamide
CID 171797421
ethyl 1-cyclohexyl-2-(3-phenylprop-2-enoylamino)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 3257098
(E)-N-[4,5-dimethyl-2-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]-3-phenylprop-2-enamide
CID 14597871
[(E)-3-phenylprop-2-enoyl]carbamic acid
CID 140993183
(E)-N-(2-benzylpyrazol-3-yl)-3-phenylprop-2-enamide
CID 7589756
(E)-N-(6-methyl-2-phenylbenzotriazol-5-yl)-3-phenylprop-2-enamide
CID 1275862
2-[[(E)-3-[1-(cyclopropylmethyl)indazol-5-yl]prop-2-enoyl]amino]cyclohexene-1-carboxylic acid
CID 171797380
ethane;(E)-N-(2-methylphenyl)-3-phenylprop-2-enamide
CID 91574735
(E)-N,3-diphenylprop-2-enamide;ethane
CID 123527291
(E)-N-[1-(oxolan-3-yl)pyrazol-4-yl]-3-phenylprop-2-enamide
CID 71810092
(E)-N-(5-iodo-3-methyl-2-pyridinyl)-3-phenylprop-2-enamide
CID 17374734
ethyl 4-oxo-3-(3-phenylprop-2-enoylamino)-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrimidine-1-carboxylate
CID 66854415

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-(cyclopropylmethyl)-4-methylpyrazol-5-yl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[1-(cyclopropylmethyl)-4-methylpyrazol-5-yl]-3-phenylprop-2-enamide (CID 51098826) is (E)-N-[1-(cyclopropylmethyl)-4-methylpyrazol-5-yl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[1-(cyclopropylmethyl)-4-methylpyrazol-5-yl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[1-(cyclopropylmethyl)-4-methylpyrazol-5-yl]-3-phenylprop-2-enamide is Cc1cnn(CC2CC2)c1NC(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-N-[1-(cyclopropylmethyl)-4-methylpyrazol-5-yl]-3-phenylprop-2-enamide?
The InChIKey is WVCHJGFWRDTVGV-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H19N3O/c1-13-11-18-20(12-15-7-8-15)17(13)19-16(21)10-9-14-5-3-2-4-6-14/h2-6,9-11,15H,7-8,12H2,1H3,(H,19,21)/b10-9+.
What are the key properties of (E)-N-[1-(cyclopropylmethyl)-4-methylpyrazol-5-yl]-3-phenylprop-2-enamide?
(E)-N-[1-(cyclopropylmethyl)-4-methylpyrazol-5-yl]-3-phenylprop-2-enamide has a molecular weight of 281.36 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-(cyclopropylmethyl)-4-methylpyrazol-5-yl]-3-phenylprop-2-enamide is sourced from PubChem (CID 51098826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).