N-(4-bromo-3-methylphenyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide

C16H15BrN4O — CID 38005588

IUPACN-(4-bromo-3-methylphenyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCc1cc(NC(=O)c2cnn(C)c2-n2cccc2)ccc1Br
InChIInChI=1S/C16H15BrN4O/c1-11-9-12(5-6-14(11)17)19-15(22)13-10-18-20(2)16(13)21-7-3-4-8-21/h3-10H,1-2H3,(H,19,22)
InChIKeyKLPYUZFTFOAARN-UHFFFAOYSA-N
MW359.23 g/mol
LogP3.53
Rot. Bonds3

About N-(4-bromo-3-methylphenyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide

N-(4-bromo-3-methylphenyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide (PubChem CID 38005588) has the molecular formula C16H15BrN4O and a molecular weight of 359.23 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
PubChem CID38005588
Molecular FormulaC16H15BrN4O
Molecular Weight359.23 g/mol
Exact Mass358.04
IUPAC NameN-(4-bromo-3-methylphenyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCc1cc(NC(=O)c2cnn(C)c2-n2cccc2)ccc1Br
InChIInChI=1S/C16H15BrN4O/c1-11-9-12(5-6-14(11)17)19-15(22)13-10-18-20(2)16(13)21-7-3-4-8-21/h3-10H,1-2H3,(H,19,22)
InChIKeyKLPYUZFTFOAARN-UHFFFAOYSA-N
XLogP3.53
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.23
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 51053385
methyl 2-chloro-5-[(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]benzoate
CID 34163624
N-(3-methoxyphenyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 2809038
1-methyl-N-(3-methylsulfonylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 33159734
N-[4-chloro-3-(trifluoromethyl)phenyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 38024054
N-(4-bromo-3-methylphenyl)-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 55604592
1-methyl-5-pyrrol-1-yl-N-[3-(tetrazol-1-yl)phenyl]pyrazole-4-carboxamide
CID 38136593
1-methyl-N-(1-methylpyrazol-3-yl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 38105120
2-bromo-N-(4-bromo-3-methylphenyl)benzamide
CID 2505928
N-(2,4-difluorophenyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 38004934
N-(4-bromo-3-methylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 20878677
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 53370669

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide (CID 38005588) is N-(4-bromo-3-methylphenyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide is Cc1cc(NC(=O)c2cnn(C)c2-n2cccc2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The InChIKey is KLPYUZFTFOAARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN4O/c1-11-9-12(5-6-14(11)17)19-15(22)13-10-18-20(2)16(13)21-7-3-4-8-21/h3-10H,1-2H3,(H,19,22).
What are the key properties of N-(4-bromo-3-methylphenyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
N-(4-bromo-3-methylphenyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide has a molecular weight of 359.23 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 38005588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).