(E)-N-[1-(1H-pyrazol-4-yl)ethyl]-3-pyridin-3-ylprop-2-enamide

C13H14N4O — CID 103855933

IUPAC(E)-N-[1-(1H-pyrazol-4-yl)ethyl]-3-pyridin-3-ylprop-2-enamide
SMILESCC(NC(=O)/C=C/c1cccnc1)c1cn[nH]c1
InChIInChI=1S/C13H14N4O/c1-10(12-8-15-16-9-12)17-13(18)5-4-11-3-2-6-14-7-11/h2-10H,1H3,(H,15,16)(H,17,18)/b5-4+
InChIKeyBPFUDSXBFFTGNB-SNAWJCMRSA-N
MW242.28 g/mol
LogP1.70
Rot. Bonds4

About (E)-N-[1-(1H-pyrazol-4-yl)ethyl]-3-pyridin-3-ylprop-2-enamide

(E)-N-[1-(1H-pyrazol-4-yl)ethyl]-3-pyridin-3-ylprop-2-enamide (PubChem CID 103855933) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is (E)-N-[1-(1H-pyrazol-4-yl)ethyl]-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[1-(1H-pyrazol-4-yl)ethyl]-3-pyridin-3-ylprop-2-enamide
PubChem CID103855933
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name(E)-N-[1-(1H-pyrazol-4-yl)ethyl]-3-pyridin-3-ylprop-2-enamide
SMILESCC(NC(=O)/C=C/c1cccnc1)c1cn[nH]c1
InChIInChI=1S/C13H14N4O/c1-10(12-8-15-16-9-12)17-13(18)5-4-11-3-2-6-14-7-11/h2-10H,1H3,(H,15,16)(H,17,18)/b5-4+
InChIKeyBPFUDSXBFFTGNB-SNAWJCMRSA-N
XLogP1.70
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N-[1-(1H-pyrazol-4-yl)ethyl]-3-pyridin-3-ylprop-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

(E)-N-[1-(4-aminophenyl)ethyl]-3-pyridin-3-ylprop-2-enamide
CID 175541774
(E)-3-(4-aminophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]prop-2-enamide
CID 106212830
(E)-N-[1-(4-methylsulfonylphenyl)ethyl]-3-pyridin-3-ylprop-2-enamide
CID 134047995
(E)-3-(4-methoxyphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]prop-2-enamide
CID 103855852
molecular hydrogen;(E)-N-propan-2-yl-3-pyridin-3-ylprop-2-enamide
CID 168909780
(E)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-pyridin-3-ylprop-2-enamide
CID 38091744
(E)-3-(2,4-dimethylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]prop-2-enamide
CID 103856185
(E)-3-(3-aminophenyl)-N-[(1R)-1-pyridin-3-ylethyl]prop-2-enamide
CID 115344800
(E)-3-(2-chloro-6-fluorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]prop-2-enamide
CID 103856027
(E)-N-[(2R)-1-hydroxybutan-2-yl]-3-pyridin-3-ylprop-2-enamide
CID 103919982
3-phenyl-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 7074355
N-methyl-3-pyridin-3-ylprop-2-enamide
CID 73116356

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-(1H-pyrazol-4-yl)ethyl]-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of (E)-N-[1-(1H-pyrazol-4-yl)ethyl]-3-pyridin-3-ylprop-2-enamide (CID 103855933) is (E)-N-[1-(1H-pyrazol-4-yl)ethyl]-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[1-(1H-pyrazol-4-yl)ethyl]-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-[1-(1H-pyrazol-4-yl)ethyl]-3-pyridin-3-ylprop-2-enamide is CC(NC(=O)/C=C/c1cccnc1)c1cn[nH]c1.
What is the InChIKey of (E)-N-[1-(1H-pyrazol-4-yl)ethyl]-3-pyridin-3-ylprop-2-enamide?
The InChIKey is BPFUDSXBFFTGNB-SNAWJCMRSA-N. The full InChI is InChI=1S/C13H14N4O/c1-10(12-8-15-16-9-12)17-13(18)5-4-11-3-2-6-14-7-11/h2-10H,1H3,(H,15,16)(H,17,18)/b5-4+.
What are the key properties of (E)-N-[1-(1H-pyrazol-4-yl)ethyl]-3-pyridin-3-ylprop-2-enamide?
(E)-N-[1-(1H-pyrazol-4-yl)ethyl]-3-pyridin-3-ylprop-2-enamide has a molecular weight of 242.28 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-(1H-pyrazol-4-yl)ethyl]-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 103855933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).