1-[(E)-3-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoyl]piperidine-2-carboxamide

C25H26N4O3 — CID 175119065

IUPAC1-[(E)-3-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoyl]piperidine-2-carboxamide
SMILESCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)N2CCCCC2C(N)=O)c1
InChIInChI=1S/C25H26N4O3/c1-32-21-11-7-8-18(16-21)24-19(17-29(27-24)20-9-3-2-4-10-20)13-14-23(30)28-15-6-5-12-22(28)25(26)31/h2-4,7-11,13-14,16-17,22H,5-6,12,15H2,1H3,(H2,26,31)/b14-13+
InChIKeyCEMKRMDIHFNGCB-BUHFOSPRSA-N
MW430.51 g/mol
LogP3.43
Rot. Bonds6

About 1-[(E)-3-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoyl]piperidine-2-carboxamide

1-[(E)-3-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoyl]piperidine-2-carboxamide (PubChem CID 175119065) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is 1-[(E)-3-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-[(E)-3-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoyl]piperidine-2-carboxamide
PubChem CID175119065
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Name1-[(E)-3-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoyl]piperidine-2-carboxamide
SMILESCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)N2CCCCC2C(N)=O)c1
InChIInChI=1S/C25H26N4O3/c1-32-21-11-7-8-18(16-21)24-19(17-29(27-24)20-9-3-2-4-10-20)13-14-23(30)28-15-6-5-12-22(28)25(26)31/h2-4,7-11,13-14,16-17,22H,5-6,12,15H2,1H3,(H2,26,31)/b14-13+
InChIKeyCEMKRMDIHFNGCB-BUHFOSPRSA-N
XLogP3.43
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[(E)-3-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoyl]piperidine-2-carboxamide 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

1-[(E)-3-(3-cyclopentyl-1-phenylpyrazol-4-yl)prop-2-enoyl]piperidine-2-carboxamide
CID 175110293
[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 112793080
(Z)-3-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-(piperidine-1-carbonyl)prop-2-enenitrile
CID 18806276
(E)-3-[3-(4-methoxy-3-nitrophenyl)-1-phenylpyrazol-4-yl]-1-piperidin-1-ylprop-2-en-1-one
CID 1311123
N-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine
CID 2423837
(E)-3-[3-(3-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enoic acid
CID 156700548
(Z)-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)-1-piperidin-1-ylprop-2-en-1-one
CID 2423864
(E)-3-(1,3-diphenylpyrazol-4-yl)-1-(2-pyridin-3-ylpyrrolidin-1-yl)prop-2-en-1-one
CID 42921863
(E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide
CID 2360790
(Z)-2-cyano-3-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enethioamide
CID 2393024
(3S)-1-[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 124693422
(2R)-1-[3-(3-methoxyphenyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid
CID 78922252

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoyl]piperidine-2-carboxamide?
The IUPAC name of 1-[(E)-3-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoyl]piperidine-2-carboxamide (CID 175119065) is 1-[(E)-3-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-[(E)-3-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoyl]piperidine-2-carboxamide?
The canonical SMILES for 1-[(E)-3-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoyl]piperidine-2-carboxamide is COc1cccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)N2CCCCC2C(N)=O)c1.
What is the InChIKey of 1-[(E)-3-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoyl]piperidine-2-carboxamide?
The InChIKey is CEMKRMDIHFNGCB-BUHFOSPRSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-32-21-11-7-8-18(16-21)24-19(17-29(27-24)20-9-3-2-4-10-20)13-14-23(30)28-15-6-5-12-22(28)25(26)31/h2-4,7-11,13-14,16-17,22H,5-6,12,15H2,1H3,(H2,26,31)/b14-13+.
What are the key properties of 1-[(E)-3-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoyl]piperidine-2-carboxamide?
1-[(E)-3-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoyl]piperidine-2-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoyl]piperidine-2-carboxamide is sourced from PubChem (CID 175119065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).