N-(1-amino-3-phenylpropan-2-yl)-3-bromo-4-(2-methylpyrazol-3-yl)benzamide

C20H21BrN4O — CID 25050984

IUPACN-(1-amino-3-phenylpropan-2-yl)-3-bromo-4-(2-methylpyrazol-3-yl)benzamide
SMILESCn1nccc1-c1ccc(C(=O)NC(CN)Cc2ccccc2)cc1Br
InChIInChI=1S/C20H21BrN4O/c1-25-19(9-10-23-25)17-8-7-15(12-18(17)21)20(26)24-16(13-22)11-14-5-3-2-4-6-14/h2-10,12,16H,11,13,22H2,1H3,(H,24,26)
InChIKeySDZJVZZONUGAFL-UHFFFAOYSA-N
MW413.32 g/mol
LogP3.15
Rot. Bonds6

About N-(1-amino-3-phenylpropan-2-yl)-3-bromo-4-(2-methylpyrazol-3-yl)benzamide

N-(1-amino-3-phenylpropan-2-yl)-3-bromo-4-(2-methylpyrazol-3-yl)benzamide (PubChem CID 25050984) has the molecular formula C20H21BrN4O and a molecular weight of 413.32 g/mol. Its IUPAC name is N-(1-amino-3-phenylpropan-2-yl)-3-bromo-4-(2-methylpyrazol-3-yl)benzamide.

Molecular Properties

Compound NameN-(1-amino-3-phenylpropan-2-yl)-3-bromo-4-(2-methylpyrazol-3-yl)benzamide
PubChem CID25050984
Molecular FormulaC20H21BrN4O
Molecular Weight413.32 g/mol
Exact Mass412.09
IUPAC NameN-(1-amino-3-phenylpropan-2-yl)-3-bromo-4-(2-methylpyrazol-3-yl)benzamide
SMILESCn1nccc1-c1ccc(C(=O)NC(CN)Cc2ccccc2)cc1Br
InChIInChI=1S/C20H21BrN4O/c1-25-19(9-10-23-25)17-8-7-15(12-18(17)21)20(26)24-16(13-22)11-14-5-3-2-4-6-14/h2-10,12,16H,11,13,22H2,1H3,(H,24,26)
InChIKeySDZJVZZONUGAFL-UHFFFAOYSA-N
XLogP3.15
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.32
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-3-phenylpropan-2-yl)-3-methyl-4-(2-methylpyrazol-3-yl)benzamide
CID 25050634
N-(1-amino-3-phenylpropan-2-yl)-5-chloro-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide
CID 24993446
N-[(2R)-1-amino-3-phenylpropan-2-yl]-3-chloro-4-(2-methyl-1,2,4-triazol-3-yl)benzamide
CID 25051158
N-(1-amino-3-phenylpropan-2-yl)-4-(4-chloro-1-methylpyrazol-5-yl)-3-fluorobenzamide
CID 25050807
N-tert-butyl-N-[2-[[4-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)benzoyl]amino]-3-phenylpropyl]carbamate
CID 86642132
4-bromo-5-(2-methylpyrazol-3-yl)-N-(1-phenylpentan-2-yl)thiophene-2-carboxamide
CID 58201475
N-(1-amino-3-phenylpropan-2-yl)-4-ethylbenzamide
CID 63754694
N-[(2S)-1-amino-3-[2-(trifluoromethyl)phenyl]propan-2-yl]-5-(2-methylpyrazol-3-yl)furan-3-carboxamide
CID 24997112
N-[1-amino-3-[2-(trifluoromethyl)phenyl]propan-2-yl]-1-methyl-5-(2-methylpyrazol-3-yl)pyrrole-3-carboxamide
CID 74382819
N-[(2S)-1-amino-3-(2-fluorophenyl)propan-2-yl]-5-(2-methylpyrazol-3-yl)thiophene-3-carboxamide
CID 24997125
N-(1-amino-3-phenylpropan-2-yl)pyridine-3-carboxamide
CID 63754512
tert-butyl N-[2-[[4-bromo-5-(2-methylpyrazol-3-yl)thiophene-2-carbonyl]amino]-3-phenylpropyl]carbamate
CID 91528949

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-phenylpropan-2-yl)-3-bromo-4-(2-methylpyrazol-3-yl)benzamide?
The IUPAC name of N-(1-amino-3-phenylpropan-2-yl)-3-bromo-4-(2-methylpyrazol-3-yl)benzamide (CID 25050984) is N-(1-amino-3-phenylpropan-2-yl)-3-bromo-4-(2-methylpyrazol-3-yl)benzamide.
What is the SMILES notation for N-(1-amino-3-phenylpropan-2-yl)-3-bromo-4-(2-methylpyrazol-3-yl)benzamide?
The canonical SMILES for N-(1-amino-3-phenylpropan-2-yl)-3-bromo-4-(2-methylpyrazol-3-yl)benzamide is Cn1nccc1-c1ccc(C(=O)NC(CN)Cc2ccccc2)cc1Br.
What is the InChIKey of N-(1-amino-3-phenylpropan-2-yl)-3-bromo-4-(2-methylpyrazol-3-yl)benzamide?
The InChIKey is SDZJVZZONUGAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN4O/c1-25-19(9-10-23-25)17-8-7-15(12-18(17)21)20(26)24-16(13-22)11-14-5-3-2-4-6-14/h2-10,12,16H,11,13,22H2,1H3,(H,24,26).
What are the key properties of N-(1-amino-3-phenylpropan-2-yl)-3-bromo-4-(2-methylpyrazol-3-yl)benzamide?
N-(1-amino-3-phenylpropan-2-yl)-3-bromo-4-(2-methylpyrazol-3-yl)benzamide has a molecular weight of 413.32 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-phenylpropan-2-yl)-3-bromo-4-(2-methylpyrazol-3-yl)benzamide is sourced from PubChem (CID 25050984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).