4-bromo-N-[1-(4-butan-2-ylphenyl)propyl]-1-methylpyrazole-3-carboxamide

C18H24BrN3O — CID 19262770

IUPAC4-bromo-N-[1-(4-butan-2-ylphenyl)propyl]-1-methylpyrazole-3-carboxamide
SMILESCCC(C)c1ccc(C(CC)NC(=O)c2nn(C)cc2Br)cc1
InChIInChI=1S/C18H24BrN3O/c1-5-12(3)13-7-9-14(10-8-13)16(6-2)20-18(23)17-15(19)11-22(4)21-17/h7-12,16H,5-6H2,1-4H3,(H,20,23)
InChIKeyWYDHLMHUDLKKGG-UHFFFAOYSA-N
MW378.31 g/mol
LogP4.58
Rot. Bonds6

About 4-bromo-N-[1-(4-butan-2-ylphenyl)propyl]-1-methylpyrazole-3-carboxamide

4-bromo-N-[1-(4-butan-2-ylphenyl)propyl]-1-methylpyrazole-3-carboxamide (PubChem CID 19262770) has the molecular formula C18H24BrN3O and a molecular weight of 378.31 g/mol. Its IUPAC name is 4-bromo-N-[1-(4-butan-2-ylphenyl)propyl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[1-(4-butan-2-ylphenyl)propyl]-1-methylpyrazole-3-carboxamide
PubChem CID19262770
Molecular FormulaC18H24BrN3O
Molecular Weight378.31 g/mol
Exact Mass377.11
IUPAC Name4-bromo-N-[1-(4-butan-2-ylphenyl)propyl]-1-methylpyrazole-3-carboxamide
SMILESCCC(C)c1ccc(C(CC)NC(=O)c2nn(C)cc2Br)cc1
InChIInChI=1S/C18H24BrN3O/c1-5-12(3)13-7-9-14(10-8-13)16(6-2)20-18(23)17-15(19)11-22(4)21-17/h7-12,16H,5-6H2,1-4H3,(H,20,23)
InChIKeyWYDHLMHUDLKKGG-UHFFFAOYSA-N
XLogP4.58
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.31
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(4-butan-2-ylphenyl)-1-methylpyrazole-3-carboxamide
CID 3572333
4-bromo-1-methyl-N-(1-phenylethyl)pyrazole-3-carboxamide
CID 19262736
3-bromo-N-[1-(4-butan-2-ylphenyl)propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19462144
4-bromo-N-[1-(4-butan-2-ylphenyl)propyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19480995
4-bromo-1-methylpyrazole-3-carbohydrazide
CID 605116
N-[1-(4-butan-2-ylphenyl)propyl]-4-iodo-1-methylpyrazole-5-carboxamide
CID 19476113
5-[(4-bromo-3-nitropyrazol-1-yl)methyl]-N-[1-(4-butan-2-ylphenyl)propyl]furan-2-carboxamide
CID 19465138
4-bromo-N,N-di(butan-2-yl)-1-methylpyrazole-3-carboxamide
CID 19575677
N-[1-(4-butan-2-ylphenyl)propyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 19477580
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-(4-butan-2-ylphenyl)propyl]-2-methylpropanamide
CID 19564301
N-[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 51392244
4-bromo-1-methyl-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]pyrazole-3-carboxamide
CID 5397821

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(4-butan-2-ylphenyl)propyl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-bromo-N-[1-(4-butan-2-ylphenyl)propyl]-1-methylpyrazole-3-carboxamide (CID 19262770) is 4-bromo-N-[1-(4-butan-2-ylphenyl)propyl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-N-[1-(4-butan-2-ylphenyl)propyl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-N-[1-(4-butan-2-ylphenyl)propyl]-1-methylpyrazole-3-carboxamide is CCC(C)c1ccc(C(CC)NC(=O)c2nn(C)cc2Br)cc1.
What is the InChIKey of 4-bromo-N-[1-(4-butan-2-ylphenyl)propyl]-1-methylpyrazole-3-carboxamide?
The InChIKey is WYDHLMHUDLKKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrN3O/c1-5-12(3)13-7-9-14(10-8-13)16(6-2)20-18(23)17-15(19)11-22(4)21-17/h7-12,16H,5-6H2,1-4H3,(H,20,23).
What are the key properties of 4-bromo-N-[1-(4-butan-2-ylphenyl)propyl]-1-methylpyrazole-3-carboxamide?
4-bromo-N-[1-(4-butan-2-ylphenyl)propyl]-1-methylpyrazole-3-carboxamide has a molecular weight of 378.31 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(4-butan-2-ylphenyl)propyl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 19262770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).