1-(3-bromophenyl)-N-[3-(methylamino)propyl]pyrazole-3-carboxamide;hydrochloride

C14H18BrClN4O — CID 119434260

IUPAC1-(3-bromophenyl)-N-[3-(methylamino)propyl]pyrazole-3-carboxamide;hydrochloride
SMILESCNCCCNC(=O)c1ccn(-c2cccc(Br)c2)n1.Cl
InChIInChI=1S/C14H17BrN4O.ClH/c1-16-7-3-8-17-14(20)13-6-9-19(18-13)12-5-2-4-11(15)10-12;/h2,4-6,9-10,16H,3,7-8H2,1H3,(H,17,20);1H
InChIKeyMUZPHHIFIXAFFJ-UHFFFAOYSA-N
MW373.68 g/mol
LogP2.40
Rot. Bonds6

About 1-(3-bromophenyl)-N-[3-(methylamino)propyl]pyrazole-3-carboxamide;hydrochloride

1-(3-bromophenyl)-N-[3-(methylamino)propyl]pyrazole-3-carboxamide;hydrochloride (PubChem CID 119434260) has the molecular formula C14H18BrClN4O and a molecular weight of 373.68 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-[3-(methylamino)propyl]pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-[3-(methylamino)propyl]pyrazole-3-carboxamide;hydrochloride
PubChem CID119434260
Molecular FormulaC14H18BrClN4O
Molecular Weight373.68 g/mol
Exact Mass372.04
IUPAC Name1-(3-bromophenyl)-N-[3-(methylamino)propyl]pyrazole-3-carboxamide;hydrochloride
SMILESCNCCCNC(=O)c1ccn(-c2cccc(Br)c2)n1.Cl
InChIInChI=1S/C14H17BrN4O.ClH/c1-16-7-3-8-17-14(20)13-6-9-19(18-13)12-5-2-4-11(15)10-12;/h2,4-6,9-10,16H,3,7-8H2,1H3,(H,17,20);1H
InChIKeyMUZPHHIFIXAFFJ-UHFFFAOYSA-N
XLogP2.40
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.68
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminobutyl)-1-(3-bromophenyl)pyrazole-3-carboxamide;hydrochloride
CID 119499693
1-(3-bromophenyl)-N-(3-piperazin-1-ylpropyl)pyrazole-3-carboxamide
CID 119394563
N-[2-(methylamino)ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide;hydrochloride
CID 119504404
N-[2-(methylamino)ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 119504405
N-[(3-bromophenyl)methyl]-1-phenylpyrazole-3-carboxamide
CID 55651159
1-(3-aminophenyl)-N-propylpyrazole-3-carboxamide
CID 43475405
N-(4-hydroxybutyl)-1-phenylpyrazole-3-carboxamide
CID 106843256
1-(3-bromophenyl)-N-piperidin-4-ylpyrazole-3-carboxamide
CID 119390442
1-(2,6-dichloro-4-nitrophenyl)-N-[3-(methylamino)propyl]pyrazole-3-carboxamide;hydrochloride
CID 119431265
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-1-phenylpyrazole-3-carboxamide
CID 52690055
1-(2-methoxy-5-methylphenyl)-N-[3-(methylamino)propyl]pyrazole-3-carboxamide
CID 119430412
N-(3-amino-4-methylpentyl)-1-(3-bromophenyl)-N-methylpyrazole-3-carboxamide;hydrochloride
CID 119661346

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-[3-(methylamino)propyl]pyrazole-3-carboxamide;hydrochloride?
The IUPAC name of 1-(3-bromophenyl)-N-[3-(methylamino)propyl]pyrazole-3-carboxamide;hydrochloride (CID 119434260) is 1-(3-bromophenyl)-N-[3-(methylamino)propyl]pyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-(3-bromophenyl)-N-[3-(methylamino)propyl]pyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for 1-(3-bromophenyl)-N-[3-(methylamino)propyl]pyrazole-3-carboxamide;hydrochloride is CNCCCNC(=O)c1ccn(-c2cccc(Br)c2)n1.Cl.
What is the InChIKey of 1-(3-bromophenyl)-N-[3-(methylamino)propyl]pyrazole-3-carboxamide;hydrochloride?
The InChIKey is MUZPHHIFIXAFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O.ClH/c1-16-7-3-8-17-14(20)13-6-9-19(18-13)12-5-2-4-11(15)10-12;/h2,4-6,9-10,16H,3,7-8H2,1H3,(H,17,20);1H.
What are the key properties of 1-(3-bromophenyl)-N-[3-(methylamino)propyl]pyrazole-3-carboxamide;hydrochloride?
1-(3-bromophenyl)-N-[3-(methylamino)propyl]pyrazole-3-carboxamide;hydrochloride has a molecular weight of 373.68 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-[3-(methylamino)propyl]pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119434260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).