N-(1-amino-2-cyclopropylpropan-2-yl)-1-(3-bromophenyl)pyrazole-3-carboxamide

C16H19BrN4O — CID 119576000

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-1-(3-bromophenyl)pyrazole-3-carboxamide
SMILESCC(CN)(NC(=O)c1ccn(-c2cccc(Br)c2)n1)C1CC1
InChIInChI=1S/C16H19BrN4O/c1-16(10-18,11-5-6-11)19-15(22)14-7-8-21(20-14)13-4-2-3-12(17)9-13/h2-4,7-9,11H,5-6,10,18H2,1H3,(H,19,22)
InChIKeyTUNXCULFGZUNLQ-UHFFFAOYSA-N
MW363.26 g/mol
LogP2.49
Rot. Bonds5

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

N-(1-amino-2-cyclopropylpropan-2-yl)-1-(3-bromophenyl)pyrazole-3-carboxamide (PubChem CID 119576000) has the molecular formula C16H19BrN4O and a molecular weight of 363.26 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-1-(3-bromophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-1-(3-bromophenyl)pyrazole-3-carboxamide
PubChem CID119576000
Molecular FormulaC16H19BrN4O
Molecular Weight363.26 g/mol
Exact Mass362.07
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-1-(3-bromophenyl)pyrazole-3-carboxamide
SMILESCC(CN)(NC(=O)c1ccn(-c2cccc(Br)c2)n1)C1CC1
InChIInChI=1S/C16H19BrN4O/c1-16(10-18,11-5-6-11)19-15(22)14-7-8-21(20-14)13-4-2-3-12(17)9-13/h2-4,7-9,11H,5-6,10,18H2,1H3,(H,19,22)
InChIKeyTUNXCULFGZUNLQ-UHFFFAOYSA-N
XLogP2.49
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide
CID 119575055
N-(2-amino-1-cyclopropylethyl)-1-(3-bromophenyl)pyrazole-3-carboxamide
CID 119617805
N-(1-amino-2-cyclopropylpropan-2-yl)-2-phenyltriazole-4-carboxamide
CID 81486982
N-(1-amino-2-methylpropan-2-yl)-1-phenylpyrazole-3-carboxamide
CID 119525053
N-(1-amino-2-cyclopropylpropan-2-yl)-5-methyl-1-phenylpyrazole-3-carboxamide;hydrochloride
CID 119573908
1-(3-bromophenyl)-N-piperidin-4-ylpyrazole-3-carboxamide
CID 119390442
N-(1-amino-2-cyclopropylpropan-2-yl)-5-bromopyridine-2-carboxamide;dihydrochloride
CID 119573907
N-(1-amino-2-cyclopropylpropan-2-yl)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119575241
N-(3-aminobutyl)-1-(3-bromophenyl)pyrazole-3-carboxamide;hydrochloride
CID 119499693
1-(3-bromophenyl)-N-[3-(methylamino)propyl]pyrazole-3-carboxamide;hydrochloride
CID 119434260
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-bromothiophen-2-yl)-1,3-thiazole-4-carboxamide
CID 119574434
[2-(aminomethyl)pyrrolidin-1-yl]-[1-(3-bromophenyl)pyrazol-3-yl]methanone;hydrochloride
CID 119634681

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-1-(3-bromophenyl)pyrazole-3-carboxamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-1-(3-bromophenyl)pyrazole-3-carboxamide (CID 119576000) is N-(1-amino-2-cyclopropylpropan-2-yl)-1-(3-bromophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-1-(3-bromophenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-1-(3-bromophenyl)pyrazole-3-carboxamide is CC(CN)(NC(=O)c1ccn(-c2cccc(Br)c2)n1)C1CC1.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-1-(3-bromophenyl)pyrazole-3-carboxamide?
The InChIKey is TUNXCULFGZUNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4O/c1-16(10-18,11-5-6-11)19-15(22)14-7-8-21(20-14)13-4-2-3-12(17)9-13/h2-4,7-9,11H,5-6,10,18H2,1H3,(H,19,22).
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-1-(3-bromophenyl)pyrazole-3-carboxamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-1-(3-bromophenyl)pyrazole-3-carboxamide has a molecular weight of 363.26 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-1-(3-bromophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 119576000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).