1-benzyl-N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-phenylpyrazole-4-carboxamide

C26H25N5O2 — CID 55962443

IUPAC1-benzyl-N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-phenylpyrazole-4-carboxamide
SMILESCC(NC(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C26H25N5O2/c1-18(20-12-14-22(15-13-20)29-26(27)33)28-25(32)23-17-31(16-19-8-4-2-5-9-19)30-24(23)21-10-6-3-7-11-21/h2-15,17-18H,16H2,1H3,(H,28,32)(H3,27,29,33)
InChIKeyXSDTYNPCUVMOFV-UHFFFAOYSA-N
MW439.52 g/mol
LogP4.58
Rot. Bonds7

About 1-benzyl-N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-phenylpyrazole-4-carboxamide

1-benzyl-N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-phenylpyrazole-4-carboxamide (PubChem CID 55962443) has the molecular formula C26H25N5O2 and a molecular weight of 439.52 g/mol. Its IUPAC name is 1-benzyl-N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-phenylpyrazole-4-carboxamide
PubChem CID55962443
Molecular FormulaC26H25N5O2
Molecular Weight439.52 g/mol
Exact Mass439.20
IUPAC Name1-benzyl-N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-phenylpyrazole-4-carboxamide
SMILESCC(NC(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C26H25N5O2/c1-18(20-12-14-22(15-13-20)29-26(27)33)28-25(32)23-17-31(16-19-8-4-2-5-9-19)30-24(23)21-10-6-3-7-11-21/h2-15,17-18H,16H2,1H3,(H,28,32)(H3,27,29,33)
InChIKeyXSDTYNPCUVMOFV-UHFFFAOYSA-N
XLogP4.58
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-benzyl-N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-phenylpyrazole-4-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-benzyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpyrazole-4-carboxamide
CID 9301580
N-(4-acetamidophenyl)-1-benzyl-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 18204910
(E)-3-(1-benzyl-3-phenylpyrazol-4-yl)-N-[4-(carbamoylamino)phenyl]prop-2-enamide
CID 46530484
1-benzyl-3-(3-methoxyphenyl)-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]pyrazole-4-carboxamide
CID 55619315
1-benzyl-3-(4-chlorophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide
CID 46629111
1-benzyl-3-(4-chlorophenyl)-N-ethylpyrazole-4-carboxamide
CID 56827699
1-benzyl-N-(4-cyanophenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 18225401
1-benzyl-N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-phenylpyrazole-4-carboxamide
CID 40815406
1-benzyl-N-[3-(methylcarbamoylamino)phenyl]-3-phenylpyrazole-4-carboxamide
CID 99181106
N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-2-fluorobenzamide
CID 94062816
1-benzyl-N-propan-2-yl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 42282124
1-benzyl-N-(2-hydroxypropyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 78803173

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-phenylpyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-phenylpyrazole-4-carboxamide (CID 55962443) is 1-benzyl-N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-phenylpyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-phenylpyrazole-4-carboxamide is CC(NC(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccc(NC(N)=O)cc1.
What is the InChIKey of 1-benzyl-N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-phenylpyrazole-4-carboxamide?
The InChIKey is XSDTYNPCUVMOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2/c1-18(20-12-14-22(15-13-20)29-26(27)33)28-25(32)23-17-31(16-19-8-4-2-5-9-19)30-24(23)21-10-6-3-7-11-21/h2-15,17-18H,16H2,1H3,(H,28,32)(H3,27,29,33).
What are the key properties of 1-benzyl-N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-phenylpyrazole-4-carboxamide?
1-benzyl-N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-phenylpyrazole-4-carboxamide has a molecular weight of 439.52 g/mol, XLogP of 4.58, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 55962443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).