(Z)-3-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2-cyano-N-propylprop-2-enamide

C16H15ClN4O — CID 7307169

IUPAC(Z)-3-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2-cyano-N-propylprop-2-enamide
SMILESCCCNC(=O)/C(C#N)=C\c1cn[nH]c1-c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN4O/c1-2-7-19-16(22)12(9-18)8-13-10-20-21-15(13)11-3-5-14(17)6-4-11/h3-6,8,10H,2,7H2,1H3,(H,19,22)(H,20,21)/b12-8-
InChIKeyPFWYQNNBIASTKL-WQLSENKSSA-N
MW314.78 g/mol
LogP3.16
Rot. Bonds5

About (Z)-3-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2-cyano-N-propylprop-2-enamide

(Z)-3-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2-cyano-N-propylprop-2-enamide (PubChem CID 7307169) has the molecular formula C16H15ClN4O and a molecular weight of 314.78 g/mol. Its IUPAC name is (Z)-3-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2-cyano-N-propylprop-2-enamide.

Molecular Properties

Compound Name(Z)-3-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2-cyano-N-propylprop-2-enamide
PubChem CID7307169
Molecular FormulaC16H15ClN4O
Molecular Weight314.78 g/mol
Exact Mass314.09
IUPAC Name(Z)-3-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2-cyano-N-propylprop-2-enamide
SMILESCCCNC(=O)/C(C#N)=C\c1cn[nH]c1-c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN4O/c1-2-7-19-16(22)12(9-18)8-13-10-20-21-15(13)11-3-5-14(17)6-4-11/h3-6,8,10H,2,7H2,1H3,(H,19,22)(H,20,21)/b12-8-
InChIKeyPFWYQNNBIASTKL-WQLSENKSSA-N
XLogP3.16
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.78
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2-cyano-N-propylprop-2-enamide?
The IUPAC name of (Z)-3-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2-cyano-N-propylprop-2-enamide (CID 7307169) is (Z)-3-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2-cyano-N-propylprop-2-enamide.
What is the SMILES notation for (Z)-3-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2-cyano-N-propylprop-2-enamide?
The canonical SMILES for (Z)-3-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2-cyano-N-propylprop-2-enamide is CCCNC(=O)/C(C#N)=C\c1cn[nH]c1-c1ccc(Cl)cc1.
What is the InChIKey of (Z)-3-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2-cyano-N-propylprop-2-enamide?
The InChIKey is PFWYQNNBIASTKL-WQLSENKSSA-N. The full InChI is InChI=1S/C16H15ClN4O/c1-2-7-19-16(22)12(9-18)8-13-10-20-21-15(13)11-3-5-14(17)6-4-11/h3-6,8,10H,2,7H2,1H3,(H,19,22)(H,20,21)/b12-8-.
What are the key properties of (Z)-3-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2-cyano-N-propylprop-2-enamide?
(Z)-3-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2-cyano-N-propylprop-2-enamide has a molecular weight of 314.78 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-2-cyano-N-propylprop-2-enamide is sourced from PubChem (CID 7307169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).