N-(2-amino-1-cyclopropylethyl)-1-(3-bromophenyl)pyrazole-3-carboxamide

C15H17BrN4O — CID 119617805

IUPACN-(2-amino-1-cyclopropylethyl)-1-(3-bromophenyl)pyrazole-3-carboxamide
SMILESNCC(NC(=O)c1ccn(-c2cccc(Br)c2)n1)C1CC1
InChIInChI=1S/C15H17BrN4O/c16-11-2-1-3-12(8-11)20-7-6-13(19-20)15(21)18-14(9-17)10-4-5-10/h1-3,6-8,10,14H,4-5,9,17H2,(H,18,21)
InChIKeyFKWZIDLPZJNEGS-UHFFFAOYSA-N
MW349.23 g/mol
LogP2.10
Rot. Bonds5

About N-(2-amino-1-cyclopropylethyl)-1-(3-bromophenyl)pyrazole-3-carboxamide

N-(2-amino-1-cyclopropylethyl)-1-(3-bromophenyl)pyrazole-3-carboxamide (PubChem CID 119617805) has the molecular formula C15H17BrN4O and a molecular weight of 349.23 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-1-(3-bromophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-1-(3-bromophenyl)pyrazole-3-carboxamide
PubChem CID119617805
Molecular FormulaC15H17BrN4O
Molecular Weight349.23 g/mol
Exact Mass348.06
IUPAC NameN-(2-amino-1-cyclopropylethyl)-1-(3-bromophenyl)pyrazole-3-carboxamide
SMILESNCC(NC(=O)c1ccn(-c2cccc(Br)c2)n1)C1CC1
InChIInChI=1S/C15H17BrN4O/c16-11-2-1-3-12(8-11)20-7-6-13(19-20)15(21)18-14(9-17)10-4-5-10/h1-3,6-8,10,14H,4-5,9,17H2,(H,18,21)
InChIKeyFKWZIDLPZJNEGS-UHFFFAOYSA-N
XLogP2.10
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-1-phenylpyrazole-3-carboxamide;hydrochloride
CID 119617682
N-(2-amino-1-cyclohexylethyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide
CID 119590853
N-(1-amino-2-cyclopropylpropan-2-yl)-1-(3-bromophenyl)pyrazole-3-carboxamide
CID 119576000
1-(3-bromophenyl)-N-piperidin-4-ylpyrazole-3-carboxamide
CID 119390442
N-(2-amino-1-cyclopropylethyl)-3-(tetrazol-1-yl)benzamide
CID 119614861
N-(2-amino-1-cyclopropylethyl)-1-(3-bromophenyl)-2-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119614281
N-(3-aminobutyl)-1-(3-bromophenyl)pyrazole-3-carboxamide;hydrochloride
CID 119499693
N-[(1R)-3-amino-1-cyclohexyl-3-oxopropyl]-1-phenylpyrazole-3-carboxamide
CID 95787088
[2-(aminomethyl)pyrrolidin-1-yl]-[1-(3-bromophenyl)pyrazol-3-yl]methanone;hydrochloride
CID 119634681
N-(2-amino-1-cyclopropylethyl)-5-bromopyridine-2-carboxamide;dihydrochloride
CID 119614994
1-(3-bromophenyl)-N-[3-(methylamino)propyl]pyrazole-3-carboxamide;hydrochloride
CID 119434260
[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-[1-(3-bromophenyl)pyrazol-3-yl]methanone
CID 125135425

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-1-(3-bromophenyl)pyrazole-3-carboxamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-1-(3-bromophenyl)pyrazole-3-carboxamide (CID 119617805) is N-(2-amino-1-cyclopropylethyl)-1-(3-bromophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-1-(3-bromophenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-1-(3-bromophenyl)pyrazole-3-carboxamide is NCC(NC(=O)c1ccn(-c2cccc(Br)c2)n1)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-1-(3-bromophenyl)pyrazole-3-carboxamide?
The InChIKey is FKWZIDLPZJNEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O/c16-11-2-1-3-12(8-11)20-7-6-13(19-20)15(21)18-14(9-17)10-4-5-10/h1-3,6-8,10,14H,4-5,9,17H2,(H,18,21).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-1-(3-bromophenyl)pyrazole-3-carboxamide?
N-(2-amino-1-cyclopropylethyl)-1-(3-bromophenyl)pyrazole-3-carboxamide has a molecular weight of 349.23 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-1-(3-bromophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 119617805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).