N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-1,3-diphenylpyrazole-4-carboxamide

C26H20ClN5O — CID 19281327

IUPACN-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-1,3-diphenylpyrazole-4-carboxamide
SMILESO=C(Nc1cccc(Cn2cc(Cl)cn2)c1)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C26H20ClN5O/c27-21-15-28-31(17-21)16-19-8-7-11-22(14-19)29-26(33)24-18-32(23-12-5-2-6-13-23)30-25(24)20-9-3-1-4-10-20/h1-15,17-18H,16H2,(H,29,33)
InChIKeyDJVLDBDTYZYIHQ-UHFFFAOYSA-N
MW453.93 g/mol
LogP5.69
Rot. Bonds6

About N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-1,3-diphenylpyrazole-4-carboxamide

N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-1,3-diphenylpyrazole-4-carboxamide (PubChem CID 19281327) has the molecular formula C26H20ClN5O and a molecular weight of 453.93 g/mol. Its IUPAC name is N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-1,3-diphenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-1,3-diphenylpyrazole-4-carboxamide
PubChem CID19281327
Molecular FormulaC26H20ClN5O
Molecular Weight453.93 g/mol
Exact Mass453.14
IUPAC NameN-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-1,3-diphenylpyrazole-4-carboxamide
SMILESO=C(Nc1cccc(Cn2cc(Cl)cn2)c1)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C26H20ClN5O/c27-21-15-28-31(17-21)16-19-8-7-11-22(14-19)29-26(33)24-18-32(23-12-5-2-6-13-23)30-25(24)20-9-3-1-4-10-20/h1-15,17-18H,16H2,(H,29,33)
InChIKeyDJVLDBDTYZYIHQ-UHFFFAOYSA-N
XLogP5.69
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.93
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-1,3-diphenylpyrazole-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

1,3-diphenyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazole-4-carboxamide
CID 19281381
N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide
CID 19474875
N-(3-chlorophenyl)-1-phenyl-3-pyridin-4-ylpyrazole-4-carboxamide
CID 166184461
N-(1-benzyl-1,2,4-triazol-3-yl)-1,3-diphenylpyrazole-4-carboxamide
CID 19281399
N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-1,3-diphenylpyrazole-4-carboxamide
CID 19281350
4-[3-[(4-chloropyrazol-1-yl)methyl]anilino]-4-oxobutanoic acid
CID 51699136
N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1,3-diphenylpyrazole-4-carboxamide
CID 19281414
3-(3,4-dimethylphenyl)-N-[3-(hydroxymethyl)phenyl]-1-phenylpyrazole-4-carboxamide
CID 9162880
1-phenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]-3-pyridin-3-ylpyrazole-4-carboxamide
CID 55969423
N-[1-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,3-diphenylpyrazole-4-carboxamide
CID 19281407
N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-4-iodo-1H-pyrazole-5-carboxamide
CID 19479897
4-chloro-N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-1-ethylpyrazole-3-carboxamide
CID 19263371

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-1,3-diphenylpyrazole-4-carboxamide?
The IUPAC name of N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-1,3-diphenylpyrazole-4-carboxamide (CID 19281327) is N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-1,3-diphenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-1,3-diphenylpyrazole-4-carboxamide?
The canonical SMILES for N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-1,3-diphenylpyrazole-4-carboxamide is O=C(Nc1cccc(Cn2cc(Cl)cn2)c1)c1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-1,3-diphenylpyrazole-4-carboxamide?
The InChIKey is DJVLDBDTYZYIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClN5O/c27-21-15-28-31(17-21)16-19-8-7-11-22(14-19)29-26(33)24-18-32(23-12-5-2-6-13-23)30-25(24)20-9-3-1-4-10-20/h1-15,17-18H,16H2,(H,29,33).
What are the key properties of N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-1,3-diphenylpyrazole-4-carboxamide?
N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-1,3-diphenylpyrazole-4-carboxamide has a molecular weight of 453.93 g/mol, XLogP of 5.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-1,3-diphenylpyrazole-4-carboxamide is sourced from PubChem (CID 19281327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).