N-[(1R)-2-amino-2-oxo-1-phenylethyl]-4-bromo-5-methyl-1H-pyrazole-3-carboxamide

C13H13BrN4O2 — CID 94196966

IUPACN-[(1R)-2-amino-2-oxo-1-phenylethyl]-4-bromo-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)N[C@@H](C(N)=O)c2ccccc2)c1Br
InChIInChI=1S/C13H13BrN4O2/c1-7-9(14)11(18-17-7)13(20)16-10(12(15)19)8-5-3-2-4-6-8/h2-6,10H,1H3,(H2,15,19)(H,16,20)(H,17,18)/t10-/m1/s1
InChIKeyXHGARIIZEGPVRF-SNVBAGLBSA-N
MW337.18 g/mol
LogP1.44
Rot. Bonds4

About N-[(1R)-2-amino-2-oxo-1-phenylethyl]-4-bromo-5-methyl-1H-pyrazole-3-carboxamide

N-[(1R)-2-amino-2-oxo-1-phenylethyl]-4-bromo-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 94196966) has the molecular formula C13H13BrN4O2 and a molecular weight of 337.18 g/mol. Its IUPAC name is N-[(1R)-2-amino-2-oxo-1-phenylethyl]-4-bromo-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-amino-2-oxo-1-phenylethyl]-4-bromo-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID94196966
Molecular FormulaC13H13BrN4O2
Molecular Weight337.18 g/mol
Exact Mass336.02
IUPAC NameN-[(1R)-2-amino-2-oxo-1-phenylethyl]-4-bromo-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)N[C@@H](C(N)=O)c2ccccc2)c1Br
InChIInChI=1S/C13H13BrN4O2/c1-7-9(14)11(18-17-7)13(20)16-10(12(15)19)8-5-3-2-4-6-8/h2-6,10H,1H3,(H2,15,19)(H,16,20)(H,17,18)/t10-/m1/s1
InChIKeyXHGARIIZEGPVRF-SNVBAGLBSA-N
XLogP1.44
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.18
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[(1R)-2-amino-2-oxo-1-phenylethyl]-4-bromo-5-methyl-1H-pyrazole-3-carboxamide with MolForge

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Related Compounds

N-[1-(3-benzamidophenyl)ethyl]-4-bromo-5-methyl-1H-pyrazole-3-carboxamide
CID 55884946
N-(2-amino-2-oxo-1-phenylethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 166189190
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-6-methylpyridine-3-carboxamide
CID 94608879
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 94595018
4-amino-5-methyl-N-(1-phenylpropyl)-1H-pyrazole-3-carboxamide
CID 62305713
4-bromo-5-propan-2-yl-N-(2,2,2-trifluoro-1-phenylethyl)-1H-pyrazole-3-carboxamide
CID 56583007
N-[(1S)-2-amino-2-oxo-1-phenylethyl]pyridine-2-carboxamide
CID 94572874
4-bromo-N-[4-(2-methoxyphenoxy)phenyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 55884672
N-(2-amino-2-oxo-1-phenylethyl)-4-methoxybenzamide
CID 51315270
N-[(1S)-2-amino-2-oxo-1-phenylethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 72866160
(2S)-2-amino-N-(2-amino-2-oxo-1-phenylethyl)propanamide
CID 119276132
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-methyl-3-pyridin-2-ylbenzamide
CID 97242872

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-4-bromo-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-4-bromo-5-methyl-1H-pyrazole-3-carboxamide (CID 94196966) is N-[(1R)-2-amino-2-oxo-1-phenylethyl]-4-bromo-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(1R)-2-amino-2-oxo-1-phenylethyl]-4-bromo-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(1R)-2-amino-2-oxo-1-phenylethyl]-4-bromo-5-methyl-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)N[C@@H](C(N)=O)c2ccccc2)c1Br.
What is the InChIKey of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-4-bromo-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is XHGARIIZEGPVRF-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H13BrN4O2/c1-7-9(14)11(18-17-7)13(20)16-10(12(15)19)8-5-3-2-4-6-8/h2-6,10H,1H3,(H2,15,19)(H,16,20)(H,17,18)/t10-/m1/s1.
What are the key properties of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-4-bromo-5-methyl-1H-pyrazole-3-carboxamide?
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-4-bromo-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 337.18 g/mol, XLogP of 1.44, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-amino-2-oxo-1-phenylethyl]-4-bromo-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 94196966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).