(E)-3-(2-cyanophenyl)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]prop-2-enamide

C19H23N5O — CID 51095084

IUPAC(E)-3-(2-cyanophenyl)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]prop-2-enamide
SMILESCCN(CC)CCn1cc(NC(=O)/C=C/c2ccccc2C#N)cn1
InChIInChI=1S/C19H23N5O/c1-3-23(4-2)11-12-24-15-18(14-21-24)22-19(25)10-9-16-7-5-6-8-17(16)13-20/h5-10,14-15H,3-4,11-12H2,1-2H3,(H,22,25)/b10-9+
InChIKeyIEZRRJXWEXEMJU-MDZDMXLPSA-N
MW337.43 g/mol
LogP2.75
Rot. Bonds8

About (E)-3-(2-cyanophenyl)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]prop-2-enamide

(E)-3-(2-cyanophenyl)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]prop-2-enamide (PubChem CID 51095084) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is (E)-3-(2-cyanophenyl)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-cyanophenyl)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]prop-2-enamide
PubChem CID51095084
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name(E)-3-(2-cyanophenyl)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]prop-2-enamide
SMILESCCN(CC)CCn1cc(NC(=O)/C=C/c2ccccc2C#N)cn1
InChIInChI=1S/C19H23N5O/c1-3-23(4-2)11-12-24-15-18(14-21-24)22-19(25)10-9-16-7-5-6-8-17(16)13-20/h5-10,14-15H,3-4,11-12H2,1-2H3,(H,22,25)/b10-9+
InChIKeyIEZRRJXWEXEMJU-MDZDMXLPSA-N
XLogP2.75
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-cyanophenyl)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]prop-2-enamide
CID 51098152
N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-methoxy-2-phenylacetamide
CID 60587081
3-(2-chlorophenyl)-N-[1-(5-oxohexyl)pyrazol-4-yl]prop-2-enamide
CID 66928257
2-chloro-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetamide
CID 54867250
N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]butanamide
CID 47927357
(Z)-N-[1-(5-oxohexyl)pyrazol-4-yl]-3-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 66928315
(E)-3-(2-cyanophenyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]prop-2-enamide
CID 55464461
N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-(methylamino)propanamide
CID 62638227
4-[[(E)-3-(2-cyanophenyl)prop-2-enoyl]amino]-N-(2-methylbutan-2-yl)benzamide
CID 55892218
N-[4-[2-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 55835660
(E)-3-(2-cyanophenyl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]prop-2-enamide
CID 55908015
(Z)-3-(4-acetamidophenyl)-N-(1-propylpyrazol-4-yl)prop-2-enamide
CID 97359500

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-cyanophenyl)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]prop-2-enamide?
The IUPAC name of (E)-3-(2-cyanophenyl)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]prop-2-enamide (CID 51095084) is (E)-3-(2-cyanophenyl)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-cyanophenyl)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-cyanophenyl)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]prop-2-enamide is CCN(CC)CCn1cc(NC(=O)/C=C/c2ccccc2C#N)cn1.
What is the InChIKey of (E)-3-(2-cyanophenyl)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]prop-2-enamide?
The InChIKey is IEZRRJXWEXEMJU-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H23N5O/c1-3-23(4-2)11-12-24-15-18(14-21-24)22-19(25)10-9-16-7-5-6-8-17(16)13-20/h5-10,14-15H,3-4,11-12H2,1-2H3,(H,22,25)/b10-9+.
What are the key properties of (E)-3-(2-cyanophenyl)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]prop-2-enamide?
(E)-3-(2-cyanophenyl)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]prop-2-enamide has a molecular weight of 337.43 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-cyanophenyl)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]prop-2-enamide is sourced from PubChem (CID 51095084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).