3-(4-cyanophenyl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide

C19H15N5O — CID 169305313

IUPAC3-(4-cyanophenyl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide
SMILESCc1c(NC(=O)C=Cc2ccc(C#N)cc2)n[nH]c1-c1ccncc1
InChIInChI=1S/C19H15N5O/c1-13-18(16-8-10-21-11-9-16)23-24-19(13)22-17(25)7-6-14-2-4-15(12-20)5-3-14/h2-11H,1H3,(H2,22,23,24,25)
InChIKeyJTUAKSRLFKSTLX-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.30
Rot. Bonds4

About 3-(4-cyanophenyl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide

3-(4-cyanophenyl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide (PubChem CID 169305313) has the molecular formula C19H15N5O and a molecular weight of 329.36 g/mol. Its IUPAC name is 3-(4-cyanophenyl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide.

Molecular Properties

Compound Name3-(4-cyanophenyl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide
PubChem CID169305313
Molecular FormulaC19H15N5O
Molecular Weight329.36 g/mol
Exact Mass329.13
IUPAC Name3-(4-cyanophenyl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide
SMILESCc1c(NC(=O)C=Cc2ccc(C#N)cc2)n[nH]c1-c1ccncc1
InChIInChI=1S/C19H15N5O/c1-13-18(16-8-10-21-11-9-16)23-24-19(13)22-17(25)7-6-14-2-4-15(12-20)5-3-14/h2-11H,1H3,(H2,22,23,24,25)
InChIKeyJTUAKSRLFKSTLX-UHFFFAOYSA-N
XLogP3.30
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(4-cyanophenyl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-iodophenyl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide
CID 169305410
3-(3,5-dichlorophenyl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide
CID 169305342
2-(4-cyanophenoxy)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide
CID 51102446
3-(4-cyano-3-fluorophenyl)-2-fluoro-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide
CID 169305375
(E)-N-(4-cyanophenyl)-3-(4-methylphenyl)prop-2-enamide
CID 917674
(E)-3-(4-cyanophenyl)-N-(1H-pyrazol-4-yl)prop-2-enamide
CID 43540424
3-(4-chlorophenyl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-ynamide;2,2,2-trifluoroacetic acid
CID 175903068
N-(4-ethyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide
CID 175937897
2-(4-chlorophenoxy)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)acetamide
CID 163863888
(E)-3-(4-cyanophenyl)-N-(3,5-dimethoxyphenyl)prop-2-enamide
CID 9096818
N'-[(E)-3-(4-cyanophenyl)prop-2-enoyl]pyrazine-2-carbohydrazide
CID 24618561
4-[(E)-3-oxobut-1-enyl]benzonitrile
CID 11126721

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyanophenyl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide?
The IUPAC name of 3-(4-cyanophenyl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide (CID 169305313) is 3-(4-cyanophenyl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide.
What is the SMILES notation for 3-(4-cyanophenyl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide?
The canonical SMILES for 3-(4-cyanophenyl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide is Cc1c(NC(=O)C=Cc2ccc(C#N)cc2)n[nH]c1-c1ccncc1.
What is the InChIKey of 3-(4-cyanophenyl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide?
The InChIKey is JTUAKSRLFKSTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O/c1-13-18(16-8-10-21-11-9-16)23-24-19(13)22-17(25)7-6-14-2-4-15(12-20)5-3-14/h2-11H,1H3,(H2,22,23,24,25).
What are the key properties of 3-(4-cyanophenyl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide?
3-(4-cyanophenyl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide has a molecular weight of 329.36 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyanophenyl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)prop-2-enamide is sourced from PubChem (CID 169305313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).