2-(3-bromophenyl)-2-methyl-N-(1H-pyrazol-5-ylmethyl)propanamide

C14H16BrN3O — CID 56823325

IUPAC2-(3-bromophenyl)-2-methyl-N-(1H-pyrazol-5-ylmethyl)propanamide
SMILESCC(C)(C(=O)NCc1ccn[nH]1)c1cccc(Br)c1
InChIInChI=1S/C14H16BrN3O/c1-14(2,10-4-3-5-11(15)8-10)13(19)16-9-12-6-7-17-18-12/h3-8H,9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyVKDGUZKIFCOVFZ-UHFFFAOYSA-N
MW322.21 g/mol
LogP2.77
Rot. Bonds4

About 2-(3-bromophenyl)-2-methyl-N-(1H-pyrazol-5-ylmethyl)propanamide

2-(3-bromophenyl)-2-methyl-N-(1H-pyrazol-5-ylmethyl)propanamide (PubChem CID 56823325) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is 2-(3-bromophenyl)-2-methyl-N-(1H-pyrazol-5-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-2-methyl-N-(1H-pyrazol-5-ylmethyl)propanamide
PubChem CID56823325
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name2-(3-bromophenyl)-2-methyl-N-(1H-pyrazol-5-ylmethyl)propanamide
SMILESCC(C)(C(=O)NCc1ccn[nH]1)c1cccc(Br)c1
InChIInChI=1S/C14H16BrN3O/c1-14(2,10-4-3-5-11(15)8-10)13(19)16-9-12-6-7-17-18-12/h3-8H,9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyVKDGUZKIFCOVFZ-UHFFFAOYSA-N
XLogP2.77
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)-N-[3-(2-hydroxyethoxy)propyl]-2-methylpropanamide
CID 110022275
2-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]-2-methylpropanamide
CID 120652269
2,6-dihydroxy-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 113346790
2-[[2-(3-bromophenyl)-2-methylpropanoyl]amino]propanoic acid
CID 119225762
N-ethyl-3-(1H-pyrazol-5-ylmethylamino)benzamide
CID 43680780
2-(3-bromophenyl)-N-(3-fluoro-4-pyridinyl)-2-methylpropanamide
CID 122156106
2-phenyl-N-(1H-pyrazol-5-ylmethyl)propan-2-amine
CID 115607535
2-bromo-3-methyl-N-(1H-pyrazol-5-ylmethyl)butanamide
CID 61285500
3-oxo-3-(1H-pyrazol-5-ylmethylamino)propanoic acid
CID 62232296
1,1-diethyl-3-(1H-pyrazol-5-ylmethyl)urea
CID 112729742
2-methyl-1-(2-methyl-2-phenylpropyl)-3-(1H-pyrazol-5-ylmethyl)guanidine
CID 111948763
2-(3-chlorophenyl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide
CID 110437654

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-2-methyl-N-(1H-pyrazol-5-ylmethyl)propanamide?
The IUPAC name of 2-(3-bromophenyl)-2-methyl-N-(1H-pyrazol-5-ylmethyl)propanamide (CID 56823325) is 2-(3-bromophenyl)-2-methyl-N-(1H-pyrazol-5-ylmethyl)propanamide.
What is the SMILES notation for 2-(3-bromophenyl)-2-methyl-N-(1H-pyrazol-5-ylmethyl)propanamide?
The canonical SMILES for 2-(3-bromophenyl)-2-methyl-N-(1H-pyrazol-5-ylmethyl)propanamide is CC(C)(C(=O)NCc1ccn[nH]1)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-2-methyl-N-(1H-pyrazol-5-ylmethyl)propanamide?
The InChIKey is VKDGUZKIFCOVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-14(2,10-4-3-5-11(15)8-10)13(19)16-9-12-6-7-17-18-12/h3-8H,9H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 2-(3-bromophenyl)-2-methyl-N-(1H-pyrazol-5-ylmethyl)propanamide?
2-(3-bromophenyl)-2-methyl-N-(1H-pyrazol-5-ylmethyl)propanamide has a molecular weight of 322.21 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-2-methyl-N-(1H-pyrazol-5-ylmethyl)propanamide is sourced from PubChem (CID 56823325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).