N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3-phenyl-1H-pyrazole-5-carboxamide

C25H22N4O3 — CID 26586379

IUPACN-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccc(NC(=O)c3cc(-c4ccccc4)n[nH]3)cc2)cc1
InChIInChI=1S/C25H22N4O3/c1-2-32-21-14-12-20(13-15-21)26-24(30)18-8-10-19(11-9-18)27-25(31)23-16-22(28-29-23)17-6-4-3-5-7-17/h3-16H,2H2,1H3,(H,26,30)(H,27,31)(H,28,29)
InChIKeyKOYFUEJLLCCFCX-UHFFFAOYSA-N
MW426.48 g/mol
LogP4.98
Rot. Bonds7

About N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3-phenyl-1H-pyrazole-5-carboxamide

N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 26586379) has the molecular formula C25H22N4O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID26586379
Molecular FormulaC25H22N4O3
Molecular Weight426.48 g/mol
Exact Mass426.17
IUPAC NameN-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccc(NC(=O)c3cc(-c4ccccc4)n[nH]3)cc2)cc1
InChIInChI=1S/C25H22N4O3/c1-2-32-21-14-12-20(13-15-21)26-24(30)18-8-10-19(11-9-18)27-25(31)23-16-22(28-29-23)17-6-4-3-5-7-17/h3-16H,2H2,1H3,(H,26,30)(H,27,31)(H,28,29)
InChIKeyKOYFUEJLLCCFCX-UHFFFAOYSA-N
XLogP4.98
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 54.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3-phenyl-1H-pyrazole-5-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

3-(4-ethoxyphenyl)-N-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46856766
N-(4-ethoxyphenyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 22576776
3-(3,4-dichlorophenyl)-N-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19513551
N-[4-[3-(dimethylamino)propoxy]phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 86898687
N-(4-acetamidophenyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 26273244
3-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46856755
N-(4-ethoxyphenyl)-4-(2-phenoxyethoxy)benzamide
CID 4952680
ethyl 3-[4-[(4-methylbenzoyl)amino]phenyl]-1H-pyrazole-5-carboxylate
CID 56675418
3-(4-ethoxyphenyl)-N-(1-phenylethylideneamino)-1H-pyrazole-5-carboxamide
CID 687657
3-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 45030415
3-(3-methoxyphenyl)-N-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46856863
3-(2,4-dichlorophenyl)-N-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509972

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3-phenyl-1H-pyrazole-5-carboxamide (CID 26586379) is N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3-phenyl-1H-pyrazole-5-carboxamide is CCOc1ccc(NC(=O)c2ccc(NC(=O)c3cc(-c4ccccc4)n[nH]3)cc2)cc1.
What is the InChIKey of N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is KOYFUEJLLCCFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3/c1-2-32-21-14-12-20(13-15-21)26-24(30)18-8-10-19(11-9-18)27-25(31)23-16-22(28-29-23)17-6-4-3-5-7-17/h3-16H,2H2,1H3,(H,26,30)(H,27,31)(H,28,29).
What are the key properties of N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3-phenyl-1H-pyrazole-5-carboxamide?
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 426.48 g/mol, XLogP of 4.98, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 26586379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).