N-[(4-chlorophenyl)methyl]-1-(6-phenylindolizin-3-yl)pyrazole-3-carboxamide

C25H19ClN4O — CID 97362092

IUPACN-[(4-chlorophenyl)methyl]-1-(6-phenylindolizin-3-yl)pyrazole-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1ccn(-c2ccc3ccc(-c4ccccc4)cn23)n1
InChIInChI=1S/C25H19ClN4O/c26-21-9-6-18(7-10-21)16-27-25(31)23-14-15-30(28-23)24-13-12-22-11-8-20(17-29(22)24)19-4-2-1-3-5-19/h1-15,17H,16H2,(H,27,31)
InChIKeyXIDXNWGFPMRELT-UHFFFAOYSA-N
MW426.91 g/mol
LogP5.38
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-1-(6-phenylindolizin-3-yl)pyrazole-3-carboxamide

N-[(4-chlorophenyl)methyl]-1-(6-phenylindolizin-3-yl)pyrazole-3-carboxamide (PubChem CID 97362092) has the molecular formula C25H19ClN4O and a molecular weight of 426.91 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-(6-phenylindolizin-3-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-(6-phenylindolizin-3-yl)pyrazole-3-carboxamide
PubChem CID97362092
Molecular FormulaC25H19ClN4O
Molecular Weight426.91 g/mol
Exact Mass426.12
IUPAC NameN-[(4-chlorophenyl)methyl]-1-(6-phenylindolizin-3-yl)pyrazole-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1ccn(-c2ccc3ccc(-c4ccccc4)cn23)n1
InChIInChI=1S/C25H19ClN4O/c26-21-9-6-18(7-10-21)16-27-25(31)23-14-15-30(28-23)24-13-12-22-11-8-20(17-29(22)24)19-4-2-1-3-5-19/h1-15,17H,16H2,(H,27,31)
InChIKeyXIDXNWGFPMRELT-UHFFFAOYSA-N
XLogP5.38
TPSA51.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.91
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-chlorophenyl)methyl]-1-(6-phenylindolizin-3-yl)pyrazole-3-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

N-propyl-1-(6-pyridin-4-ylindolizin-3-yl)pyrazole-3-carboxamide
CID 97447362
N-[2-(dimethylamino)ethyl]-1-(6-pyridin-4-ylindolizin-3-yl)pyrazole-3-carboxamide
CID 97447361
N-[3-(dimethylamino)propyl]-1-(6-pyridin-4-ylindolizin-3-yl)pyrazole-3-carboxamide
CID 97362124
N-[2-(dimethylamino)-2-oxoethyl]-1-(6-pyridin-3-ylindolizin-3-yl)pyrazole-3-carboxamide
CID 97410713
N-[(4-chlorophenyl)methyl]-1-methylpyrazole-3-carboxamide
CID 40560911
1-[6-(3-methoxyphenyl)indolizin-3-yl]-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide
CID 97447454
1-[6-(4-fluorophenyl)indolizin-3-yl]-N-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide
CID 97362163
1-[6-(3-fluorophenyl)indolizin-3-yl]-N-pyridin-3-ylpyrazole-3-carboxamide
CID 97447411
1-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]pyrazole-3-carboxamide
CID 71685669
1-(3-chlorophenyl)-N-[[4-(diethylaminomethyl)phenyl]methyl]pyrazole-3-carboxamide
CID 55929884
N-[(4-chlorophenyl)methyl]-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 112852645
N-[(4-morpholin-4-ylphenyl)methyl]-1-phenylpyrazole-3-carboxamide
CID 51124890

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-(6-phenylindolizin-3-yl)pyrazole-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-(6-phenylindolizin-3-yl)pyrazole-3-carboxamide (CID 97362092) is N-[(4-chlorophenyl)methyl]-1-(6-phenylindolizin-3-yl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-(6-phenylindolizin-3-yl)pyrazole-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-(6-phenylindolizin-3-yl)pyrazole-3-carboxamide is O=C(NCc1ccc(Cl)cc1)c1ccn(-c2ccc3ccc(-c4ccccc4)cn23)n1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-(6-phenylindolizin-3-yl)pyrazole-3-carboxamide?
The InChIKey is XIDXNWGFPMRELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN4O/c26-21-9-6-18(7-10-21)16-27-25(31)23-14-15-30(28-23)24-13-12-22-11-8-20(17-29(22)24)19-4-2-1-3-5-19/h1-15,17H,16H2,(H,27,31).
What are the key properties of N-[(4-chlorophenyl)methyl]-1-(6-phenylindolizin-3-yl)pyrazole-3-carboxamide?
N-[(4-chlorophenyl)methyl]-1-(6-phenylindolizin-3-yl)pyrazole-3-carboxamide has a molecular weight of 426.91 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-(6-phenylindolizin-3-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 97362092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).