N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide

C15H13BrN4O2 — CID 34074376

IUPACN-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)no1
InChIInChI=1S/C15H13BrN4O2/c1-10-8-13(19-22-10)15(21)18-14-6-7-17-20(14)9-11-2-4-12(16)5-3-11/h2-8H,9H2,1H3,(H,18,21)
InChIKeyHXLJGXXWLJDBHR-UHFFFAOYSA-N
MW361.20 g/mol
LogP3.24
Rot. Bonds4

About N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide

N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 34074376) has the molecular formula C15H13BrN4O2 and a molecular weight of 361.20 g/mol. Its IUPAC name is N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID34074376
Molecular FormulaC15H13BrN4O2
Molecular Weight361.20 g/mol
Exact Mass360.02
IUPAC NameN-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)no1
InChIInChI=1S/C15H13BrN4O2/c1-10-8-13(19-22-10)15(21)18-14-6-7-17-20(14)9-11-2-4-12(16)5-3-11/h2-8H,9H2,1H3,(H,18,21)
InChIKeyHXLJGXXWLJDBHR-UHFFFAOYSA-N
XLogP3.24
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.20
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]propanamide
CID 86907615
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-chloropyridine-4-carboxamide
CID 32696325
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-chlorobenzamide
CID 7504732
5-bromo-2-iodo-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 112797900
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-4-methyl-3-nitrobenzamide
CID 27831565
4-benzamido-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]benzamide
CID 43048740
4-amino-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]pentanamide
CID 120559345
cis-(1R,2S)-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-methylcyclopropane-1-carboxamide
CID 40972650
N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-3-methyl-1,2-oxazole-5-carboxamide
CID 34078100
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-(trifluoromethyl)benzamide
CID 27831460
2-(4-bromophenyl)-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]acetamide
CID 78806526
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(3-fluorophenyl)acetamide
CID 16564232

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide (CID 34074376) is N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)no1.
What is the InChIKey of N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is HXLJGXXWLJDBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4O2/c1-10-8-13(19-22-10)15(21)18-14-6-7-17-20(14)9-11-2-4-12(16)5-3-11/h2-8H,9H2,1H3,(H,18,21).
What are the key properties of N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 361.20 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 34074376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).