N-[5-bromo-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide

C15H16BrN3O2 — CID 177360111

IUPACN-[5-bromo-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide
SMILESCOc1ccc(Cn2nc(NC(=O)C3CC3)cc2Br)cc1
InChIInChI=1S/C15H16BrN3O2/c1-21-12-6-2-10(3-7-12)9-19-13(16)8-14(18-19)17-15(20)11-4-5-11/h2-3,6-8,11H,4-5,9H2,1H3,(H,17,18,20)
InChIKeyYNECIEIWQRSURJ-UHFFFAOYSA-N
MW350.22 g/mol
LogP3.05
Rot. Bonds5

About N-[5-bromo-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide

N-[5-bromo-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide (PubChem CID 177360111) has the molecular formula C15H16BrN3O2 and a molecular weight of 350.22 g/mol. Its IUPAC name is N-[5-bromo-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-bromo-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide
PubChem CID177360111
Molecular FormulaC15H16BrN3O2
Molecular Weight350.22 g/mol
Exact Mass349.04
IUPAC NameN-[5-bromo-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide
SMILESCOc1ccc(Cn2nc(NC(=O)C3CC3)cc2Br)cc1
InChIInChI=1S/C15H16BrN3O2/c1-21-12-6-2-10(3-7-12)9-19-13(16)8-14(18-19)17-15(20)11-4-5-11/h2-3,6-8,11H,4-5,9H2,1H3,(H,17,18,20)
InChIKeyYNECIEIWQRSURJ-UHFFFAOYSA-N
XLogP3.05
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]cyclopropanecarboxamide
CID 113041743
N-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]cyclopropanecarboxamide
CID 113042762
N-(1-benzyl-5-methylpyrazol-3-yl)-3-(4-methoxyphenyl)propanamide
CID 17052773
3-[[3-[[3-amino-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbonyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylic acid
CID 25241935
N-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 53284727
methyl 3-[[2-[(2-aminoacetyl)amino]acetyl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate
CID 11257354
N-[5-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-methylbenzamide
CID 39847896
1-[2-(4-methoxyphenyl)acetyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 39700872
1-N-[(4-methoxyphenyl)methyl]-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109148585
N-[5-(4-methoxyphenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide
CID 162467456
N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]cyclobutanecarboxamide
CID 35592842
N-(2-bromo-5-methoxyphenyl)cycloheptanecarboxamide
CID 62780708

Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-bromo-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide (CID 177360111) is N-[5-bromo-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-bromo-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-bromo-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide is COc1ccc(Cn2nc(NC(=O)C3CC3)cc2Br)cc1.
What is the InChIKey of N-[5-bromo-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide?
The InChIKey is YNECIEIWQRSURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O2/c1-21-12-6-2-10(3-7-12)9-19-13(16)8-14(18-19)17-15(20)11-4-5-11/h2-3,6-8,11H,4-5,9H2,1H3,(H,17,18,20).
What are the key properties of N-[5-bromo-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide?
N-[5-bromo-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide has a molecular weight of 350.22 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-bromo-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 177360111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).