N-(3-aminobutyl)-1-(4-bromophenyl)pyrazole-4-carboxamide;hydrochloride

C14H18BrClN4O — CID 119498873

IUPACN-(3-aminobutyl)-1-(4-bromophenyl)pyrazole-4-carboxamide;hydrochloride
SMILESCC(N)CCNC(=O)c1cnn(-c2ccc(Br)cc2)c1.Cl
InChIInChI=1S/C14H17BrN4O.ClH/c1-10(16)6-7-17-14(20)11-8-18-19(9-11)13-4-2-12(15)3-5-13;/h2-5,8-10H,6-7,16H2,1H3,(H,17,20);1H
InChIKeyACAWTKNURNKQJY-UHFFFAOYSA-N
MW373.68 g/mol
LogP2.52
Rot. Bonds5

About N-(3-aminobutyl)-1-(4-bromophenyl)pyrazole-4-carboxamide;hydrochloride

N-(3-aminobutyl)-1-(4-bromophenyl)pyrazole-4-carboxamide;hydrochloride (PubChem CID 119498873) has the molecular formula C14H18BrClN4O and a molecular weight of 373.68 g/mol. Its IUPAC name is N-(3-aminobutyl)-1-(4-bromophenyl)pyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-1-(4-bromophenyl)pyrazole-4-carboxamide;hydrochloride
PubChem CID119498873
Molecular FormulaC14H18BrClN4O
Molecular Weight373.68 g/mol
Exact Mass372.04
IUPAC NameN-(3-aminobutyl)-1-(4-bromophenyl)pyrazole-4-carboxamide;hydrochloride
SMILESCC(N)CCNC(=O)c1cnn(-c2ccc(Br)cc2)c1.Cl
InChIInChI=1S/C14H17BrN4O.ClH/c1-10(16)6-7-17-14(20)11-8-18-19(9-11)13-4-2-12(15)3-5-13;/h2-5,8-10H,6-7,16H2,1H3,(H,17,20);1H
InChIKeyACAWTKNURNKQJY-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

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Related Compounds

1-(4-bromophenyl)-N-[2-(ethylamino)ethyl]pyrazole-4-carboxamide;hydrochloride
CID 119508703
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CID 78888800
1-(4-bromophenyl)-N-hexylpyrazole-4-carboxamide
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N-(3-anilinopropyl)-1-(4-bromophenyl)pyrazole-4-carboxamide
CID 56586341
N-(4-bromopentyl)-1-phenylpyrazole-4-carboxamide
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CID 111461412
1-(4-bromophenyl)-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]pyrazole-4-carboxamide
CID 55964472
1-(4-bromophenyl)-N-[2-(3,4-diethoxyphenyl)ethyl]pyrazole-4-carboxamide
CID 50772666
N-(2-amino-3-hydroxybutyl)-1-phenylpyrazole-4-carboxamide
CID 64541460
(2S)-2-[[1-(4-bromophenyl)pyrazole-4-carbonyl]amino]-4-methylpentanoic acid
CID 119360980
N-(2-aminopentyl)-1-phenylpyrazole-4-carboxamide
CID 115737771
N-(3-aminobutyl)-4-bromo-1-(4-fluorophenyl)pyrazole-3-carboxamide;hydrochloride
CID 119498458

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-1-(4-bromophenyl)pyrazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-1-(4-bromophenyl)pyrazole-4-carboxamide;hydrochloride (CID 119498873) is N-(3-aminobutyl)-1-(4-bromophenyl)pyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-1-(4-bromophenyl)pyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-1-(4-bromophenyl)pyrazole-4-carboxamide;hydrochloride is CC(N)CCNC(=O)c1cnn(-c2ccc(Br)cc2)c1.Cl.
What is the InChIKey of N-(3-aminobutyl)-1-(4-bromophenyl)pyrazole-4-carboxamide;hydrochloride?
The InChIKey is ACAWTKNURNKQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O.ClH/c1-10(16)6-7-17-14(20)11-8-18-19(9-11)13-4-2-12(15)3-5-13;/h2-5,8-10H,6-7,16H2,1H3,(H,17,20);1H.
What are the key properties of N-(3-aminobutyl)-1-(4-bromophenyl)pyrazole-4-carboxamide;hydrochloride?
N-(3-aminobutyl)-1-(4-bromophenyl)pyrazole-4-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-(4-bromophenyl)pyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119498873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).