(E)-3-(2-chlorophenyl)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]prop-2-enamide

C19H17ClN4O — CID 90588038

IUPAC(E)-3-(2-chlorophenyl)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1Cl)NCCn1ccc(-c2ccncc2)n1
InChIInChI=1S/C19H17ClN4O/c20-17-4-2-1-3-15(17)5-6-19(25)22-12-14-24-13-9-18(23-24)16-7-10-21-11-8-16/h1-11,13H,12,14H2,(H,22,25)/b6-5+
InChIKeyYBKNGCUPXZBTRB-AATRIKPKSA-N
MW352.83 g/mol
LogP3.43
Rot. Bonds6

About (E)-3-(2-chlorophenyl)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]prop-2-enamide

(E)-3-(2-chlorophenyl)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]prop-2-enamide (PubChem CID 90588038) has the molecular formula C19H17ClN4O and a molecular weight of 352.83 g/mol. Its IUPAC name is (E)-3-(2-chlorophenyl)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chlorophenyl)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]prop-2-enamide
PubChem CID90588038
Molecular FormulaC19H17ClN4O
Molecular Weight352.83 g/mol
Exact Mass352.11
IUPAC Name(E)-3-(2-chlorophenyl)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1Cl)NCCn1ccc(-c2ccncc2)n1
InChIInChI=1S/C19H17ClN4O/c20-17-4-2-1-3-15(17)5-6-19(25)22-12-14-24-13-9-18(23-24)16-7-10-21-11-8-16/h1-11,13H,12,14H2,(H,22,25)/b6-5+
InChIKeyYBKNGCUPXZBTRB-AATRIKPKSA-N
XLogP3.43
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.83
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2-chlorophenyl)-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]prop-2-enamide
CID 117054867
(E)-3-(2-methylphenyl)-N-[2-(3-pyrazin-2-ylpyrazol-1-yl)ethyl]prop-2-enamide
CID 119102701
(E)-3-(2-fluorophenyl)-N-[2-(3-pyrazin-2-ylpyrazol-1-yl)ethyl]prop-2-enamide
CID 121019927
1-ethyl-3-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]urea
CID 90588193
4-phenyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]butanamide
CID 90588000
1-(2-chlorophenyl)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]methanesulfonamide
CID 90588160
(E)-3-(2-methylphenyl)-N-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]prop-2-enamide
CID 126854930
(E)-3-(2-chlorophenyl)-N-(2-pyrimidin-5-ylethyl)prop-2-enamide
CID 110208393
2-(4-chlorophenoxy)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide
CID 90588042
(E)-3-(2-chlorophenyl)-N-[(1-ethylpyrazol-3-yl)methyl]prop-2-enamide
CID 19331002
4-phenoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzamide
CID 90588080
(E)-3-(2-chlorophenyl)-N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]prop-2-enamide
CID 86266725

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chlorophenyl)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(2-chlorophenyl)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]prop-2-enamide (CID 90588038) is (E)-3-(2-chlorophenyl)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-chlorophenyl)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-chlorophenyl)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]prop-2-enamide is O=C(/C=C/c1ccccc1Cl)NCCn1ccc(-c2ccncc2)n1.
What is the InChIKey of (E)-3-(2-chlorophenyl)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]prop-2-enamide?
The InChIKey is YBKNGCUPXZBTRB-AATRIKPKSA-N. The full InChI is InChI=1S/C19H17ClN4O/c20-17-4-2-1-3-15(17)5-6-19(25)22-12-14-24-13-9-18(23-24)16-7-10-21-11-8-16/h1-11,13H,12,14H2,(H,22,25)/b6-5+.
What are the key properties of (E)-3-(2-chlorophenyl)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]prop-2-enamide?
(E)-3-(2-chlorophenyl)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]prop-2-enamide has a molecular weight of 352.83 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chlorophenyl)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 90588038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).