N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-1,3-diphenylpyrazole-4-carboxamide

C29H25N7O — CID 46438991

IUPACN-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-1,3-diphenylpyrazole-4-carboxamide
SMILESN#Cc1c(CCCNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)nn(-c2ccccc2)c1N
InChIInChI=1S/C29H25N7O/c30-19-24-26(33-36(28(24)31)23-15-8-3-9-16-23)17-10-18-32-29(37)25-20-35(22-13-6-2-7-14-22)34-27(25)21-11-4-1-5-12-21/h1-9,11-16,20H,10,17-18,31H2,(H,32,37)
InChIKeyCSZVGEQCVBVPCB-UHFFFAOYSA-N
MW487.57 g/mol
LogP4.54
Rot. Bonds8

About N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-1,3-diphenylpyrazole-4-carboxamide

N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-1,3-diphenylpyrazole-4-carboxamide (PubChem CID 46438991) has the molecular formula C29H25N7O and a molecular weight of 487.57 g/mol. Its IUPAC name is N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-1,3-diphenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-1,3-diphenylpyrazole-4-carboxamide
PubChem CID46438991
Molecular FormulaC29H25N7O
Molecular Weight487.57 g/mol
Exact Mass487.21
IUPAC NameN-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-1,3-diphenylpyrazole-4-carboxamide
SMILESN#Cc1c(CCCNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)nn(-c2ccccc2)c1N
InChIInChI=1S/C29H25N7O/c30-19-24-26(33-36(28(24)31)23-15-8-3-9-16-23)17-10-18-32-29(37)25-20-35(22-13-6-2-7-14-22)34-27(25)21-11-4-1-5-12-21/h1-9,11-16,20H,10,17-18,31H2,(H,32,37)
InChIKeyCSZVGEQCVBVPCB-UHFFFAOYSA-N
XLogP4.54
TPSA114.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.57
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-2-methoxybenzamide
CID 38784665
N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 46411593
3,5-diacetamido-N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]benzamide
CID 55578965
N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-6-fluoro-2-sulfanylidene-1,3-dihydrobenzimidazole-4-carboxamide
CID 78903484
N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-3-nitrobenzamide
CID 38784646
1-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-3-[1-(4-phenylphenyl)ethyl]urea
CID 112818265
1-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-2-methyl-3-propylguanidine
CID 111226879
N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide
CID 55677783
1-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-3-(2-thiophen-2-ylethyl)urea
CID 134006715
N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 38784588
N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46438956
N-[2-(4-chlorophenyl)ethyl]-1,3-diphenylpyrazole-4-carboxamide
CID 18205042

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-1,3-diphenylpyrazole-4-carboxamide?
The IUPAC name of N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-1,3-diphenylpyrazole-4-carboxamide (CID 46438991) is N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-1,3-diphenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-1,3-diphenylpyrazole-4-carboxamide?
The canonical SMILES for N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-1,3-diphenylpyrazole-4-carboxamide is N#Cc1c(CCCNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)nn(-c2ccccc2)c1N.
What is the InChIKey of N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-1,3-diphenylpyrazole-4-carboxamide?
The InChIKey is CSZVGEQCVBVPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N7O/c30-19-24-26(33-36(28(24)31)23-15-8-3-9-16-23)17-10-18-32-29(37)25-20-35(22-13-6-2-7-14-22)34-27(25)21-11-4-1-5-12-21/h1-9,11-16,20H,10,17-18,31H2,(H,32,37).
What are the key properties of N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-1,3-diphenylpyrazole-4-carboxamide?
N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-1,3-diphenylpyrazole-4-carboxamide has a molecular weight of 487.57 g/mol, XLogP of 4.54, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-1,3-diphenylpyrazole-4-carboxamide is sourced from PubChem (CID 46438991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).