N-(4-bromo-1-butyl-3-phenylpyrazol-5-yl)acetamide

C15H18BrN3O — CID 3680013

IUPACN-(4-bromo-1-butyl-3-phenylpyrazol-5-yl)acetamide
SMILESCCCCn1nc(-c2ccccc2)c(Br)c1NC(C)=O
InChIInChI=1S/C15H18BrN3O/c1-3-4-10-19-15(17-11(2)20)13(16)14(18-19)12-8-6-5-7-9-12/h5-9H,3-4,10H2,1-2H3,(H,17,20)
InChIKeyFCCSEVSVFBTJSB-UHFFFAOYSA-N
MW336.23 g/mol
LogP4.07
Rot. Bonds5

About N-(4-bromo-1-butyl-3-phenylpyrazol-5-yl)acetamide

N-(4-bromo-1-butyl-3-phenylpyrazol-5-yl)acetamide (PubChem CID 3680013) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is N-(4-bromo-1-butyl-3-phenylpyrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromo-1-butyl-3-phenylpyrazol-5-yl)acetamide
PubChem CID3680013
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC NameN-(4-bromo-1-butyl-3-phenylpyrazol-5-yl)acetamide
SMILESCCCCn1nc(-c2ccccc2)c(Br)c1NC(C)=O
InChIInChI=1S/C15H18BrN3O/c1-3-4-10-19-15(17-11(2)20)13(16)14(18-19)12-8-6-5-7-9-12/h5-9H,3-4,10H2,1-2H3,(H,17,20)
InChIKeyFCCSEVSVFBTJSB-UHFFFAOYSA-N
XLogP4.07
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[4-(4-bromophenyl)-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-(2-fluorophenyl)acetamide
CID 2809416
1-(1-Benzyl-3-cyclopropylpyrazol-5-yl)-3-(3-bromophenyl)urea
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4-methyl-1-(1-phenylethyl)-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one
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N-(1-methyl-3-phenyl-1H-pyrazol-5-yl)cyclohexanecarboxamide
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7-Benzyl-1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-one
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N-[3-(3-bromophenyl)-1-phenyl-1H-pyrazol-5-yl]-2,2-dimethylpropanamide
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1-[1-Benzyl-3-(2-methylcyclopropyl)pyrazol-5-yl]-3-(3-bromophenyl)urea
CID 118715834
2-[3-(3-bromophenyl)-6-oxo-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-1-yl]ethyl acetate
CID 136027089
US9687479, 19 1-(5-[(4-fluorophenyl)methyl]amino-3-phenyl-1H-pyrazol-1-yl)-2,2-dimethylpropan-1-one
CID 68231000
4-(3-bromophenyl)-1,3-dimethyl-7,8-dihydro-6H-pyrazolo[5,4-e][1,4]diazepine
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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-1-butyl-3-phenylpyrazol-5-yl)acetamide?
The IUPAC name of N-(4-bromo-1-butyl-3-phenylpyrazol-5-yl)acetamide (CID 3680013) is N-(4-bromo-1-butyl-3-phenylpyrazol-5-yl)acetamide.
What is the SMILES notation for N-(4-bromo-1-butyl-3-phenylpyrazol-5-yl)acetamide?
The canonical SMILES for N-(4-bromo-1-butyl-3-phenylpyrazol-5-yl)acetamide is CCCCn1nc(-c2ccccc2)c(Br)c1NC(C)=O.
What is the InChIKey of N-(4-bromo-1-butyl-3-phenylpyrazol-5-yl)acetamide?
The InChIKey is FCCSEVSVFBTJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-3-4-10-19-15(17-11(2)20)13(16)14(18-19)12-8-6-5-7-9-12/h5-9H,3-4,10H2,1-2H3,(H,17,20).
What are the key properties of N-(4-bromo-1-butyl-3-phenylpyrazol-5-yl)acetamide?
N-(4-bromo-1-butyl-3-phenylpyrazol-5-yl)acetamide has a molecular weight of 336.23 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-1-butyl-3-phenylpyrazol-5-yl)acetamide is sourced from PubChem (CID 3680013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).