3-bromo-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]benzamide

C15H16BrN3O — CID 71808599

IUPAC3-bromo-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]benzamide
SMILESCn1nc(CNC(=O)c2cccc(Br)c2)cc1C1CC1
InChIInChI=1S/C15H16BrN3O/c1-19-14(10-5-6-10)8-13(18-19)9-17-15(20)11-3-2-4-12(16)7-11/h2-4,7-8,10H,5-6,9H2,1H3,(H,17,20)
InChIKeyVSEQJEGATSMKTP-UHFFFAOYSA-N
MW334.22 g/mol
LogP2.99
Rot. Bonds4

About 3-bromo-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]benzamide

3-bromo-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]benzamide (PubChem CID 71808599) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is 3-bromo-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]benzamide
PubChem CID71808599
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC Name3-bromo-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]benzamide
SMILESCn1nc(CNC(=O)c2cccc(Br)c2)cc1C1CC1
InChIInChI=1S/C15H16BrN3O/c1-19-14(10-5-6-10)8-13(18-19)9-17-15(20)11-3-2-4-12(16)7-11/h2-4,7-8,10H,5-6,9H2,1H3,(H,17,20)
InChIKeyVSEQJEGATSMKTP-UHFFFAOYSA-N
XLogP2.99
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-4-ethoxybenzamide
CID 71808574
3-bromo-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19330923
2-chloro-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-6-fluorobenzamide
CID 71808581
N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 71808560
3-bromo-N-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]benzamide
CID 71808327
N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-piperidin-1-ylbenzamide
CID 136566223
N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-4-morpholin-4-ylsulfonylbenzamide
CID 71808611
3-bromo-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 19292435
N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-4-phenylbutanamide
CID 71808571
1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-(1,5-dimethyl-1,2,4-triazol-3-yl)urea
CID 138025385
3-bromo-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzamide
CID 110642005
3-bromo-N-(imidazo[1,2-a]pyridin-2-ylmethyl)benzamide
CID 8917100

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]benzamide?
The IUPAC name of 3-bromo-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]benzamide (CID 71808599) is 3-bromo-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]benzamide.
What is the SMILES notation for 3-bromo-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]benzamide?
The canonical SMILES for 3-bromo-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]benzamide is Cn1nc(CNC(=O)c2cccc(Br)c2)cc1C1CC1.
What is the InChIKey of 3-bromo-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]benzamide?
The InChIKey is VSEQJEGATSMKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-19-14(10-5-6-10)8-13(18-19)9-17-15(20)11-3-2-4-12(16)7-11/h2-4,7-8,10H,5-6,9H2,1H3,(H,17,20).
What are the key properties of 3-bromo-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]benzamide?
3-bromo-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]benzamide has a molecular weight of 334.22 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]benzamide is sourced from PubChem (CID 71808599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).