N-(3-aminobutyl)-1-(3-bromophenyl)pyrazole-3-carboxamide;hydrochloride

C14H18BrClN4O — CID 119499693

IUPACN-(3-aminobutyl)-1-(3-bromophenyl)pyrazole-3-carboxamide;hydrochloride
SMILESCC(N)CCNC(=O)c1ccn(-c2cccc(Br)c2)n1.Cl
InChIInChI=1S/C14H17BrN4O.ClH/c1-10(16)5-7-17-14(20)13-6-8-19(18-13)12-4-2-3-11(15)9-12;/h2-4,6,8-10H,5,7,16H2,1H3,(H,17,20);1H
InChIKeyPLUDGVCAGFUVPC-UHFFFAOYSA-N
MW373.68 g/mol
LogP2.52
Rot. Bonds5

About N-(3-aminobutyl)-1-(3-bromophenyl)pyrazole-3-carboxamide;hydrochloride

N-(3-aminobutyl)-1-(3-bromophenyl)pyrazole-3-carboxamide;hydrochloride (PubChem CID 119499693) has the molecular formula C14H18BrClN4O and a molecular weight of 373.68 g/mol. Its IUPAC name is N-(3-aminobutyl)-1-(3-bromophenyl)pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-1-(3-bromophenyl)pyrazole-3-carboxamide;hydrochloride
PubChem CID119499693
Molecular FormulaC14H18BrClN4O
Molecular Weight373.68 g/mol
Exact Mass372.04
IUPAC NameN-(3-aminobutyl)-1-(3-bromophenyl)pyrazole-3-carboxamide;hydrochloride
SMILESCC(N)CCNC(=O)c1ccn(-c2cccc(Br)c2)n1.Cl
InChIInChI=1S/C14H17BrN4O.ClH/c1-10(16)5-7-17-14(20)13-6-8-19(18-13)12-4-2-3-11(15)9-12;/h2-4,6,8-10H,5,7,16H2,1H3,(H,17,20);1H
InChIKeyPLUDGVCAGFUVPC-UHFFFAOYSA-N
XLogP2.52
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.68
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-aminobutyl)-1-(3-bromophenyl)pyrazole-3-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-1-(3-bromophenyl)pyrazole-3-carboxamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-1-(3-bromophenyl)pyrazole-3-carboxamide;hydrochloride (CID 119499693) is N-(3-aminobutyl)-1-(3-bromophenyl)pyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-1-(3-bromophenyl)pyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-1-(3-bromophenyl)pyrazole-3-carboxamide;hydrochloride is CC(N)CCNC(=O)c1ccn(-c2cccc(Br)c2)n1.Cl.
What is the InChIKey of N-(3-aminobutyl)-1-(3-bromophenyl)pyrazole-3-carboxamide;hydrochloride?
The InChIKey is PLUDGVCAGFUVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O.ClH/c1-10(16)5-7-17-14(20)13-6-8-19(18-13)12-4-2-3-11(15)9-12;/h2-4,6,8-10H,5,7,16H2,1H3,(H,17,20);1H.
What are the key properties of N-(3-aminobutyl)-1-(3-bromophenyl)pyrazole-3-carboxamide;hydrochloride?
N-(3-aminobutyl)-1-(3-bromophenyl)pyrazole-3-carboxamide;hydrochloride has a molecular weight of 373.68 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-1-(3-bromophenyl)pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119499693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).