4-bromo-N-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]-1-methylpyrrole-2-carboxamide

C16H14BrClN4O — CID 99696332

IUPAC4-bromo-N-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]-1-methylpyrrole-2-carboxamide
SMILESCc1c(NC(=O)c2cc(Br)cn2C)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C16H14BrClN4O/c1-10-14(20-16(23)15-6-11(17)9-21(15)2)8-19-22(10)13-5-3-4-12(18)7-13/h3-9H,1-2H3,(H,20,23)
InChIKeyMAJYIXXXOQPDKJ-UHFFFAOYSA-N
MW393.67 g/mol
LogP4.19
Rot. Bonds3

About 4-bromo-N-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]-1-methylpyrrole-2-carboxamide

4-bromo-N-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]-1-methylpyrrole-2-carboxamide (PubChem CID 99696332) has the molecular formula C16H14BrClN4O and a molecular weight of 393.67 g/mol. Its IUPAC name is 4-bromo-N-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]-1-methylpyrrole-2-carboxamide
PubChem CID99696332
Molecular FormulaC16H14BrClN4O
Molecular Weight393.67 g/mol
Exact Mass392.00
IUPAC Name4-bromo-N-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]-1-methylpyrrole-2-carboxamide
SMILESCc1c(NC(=O)c2cc(Br)cn2C)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C16H14BrClN4O/c1-10-14(20-16(23)15-6-11(17)9-21(15)2)8-19-22(10)13-5-3-4-12(18)7-13/h3-9H,1-2H3,(H,20,23)
InChIKeyMAJYIXXXOQPDKJ-UHFFFAOYSA-N
XLogP4.19
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.67
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-(3-chloro-2-methylphenyl)-1-methylpyrrole-2-carboxamide
CID 43411021
4-bromo-N-(3-chloro-2-fluorophenyl)-1-methylpyrrole-2-carboxamide
CID 43411034
N-(5-bromo-2-methoxyphenyl)-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide
CID 55905390
N-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]-1-methyl-6-oxopiperidine-2-carboxamide
CID 146133040
4-bromo-N-(5-chloro-2-methoxyphenyl)-1-methylpyrrole-2-carboxamide
CID 43411016
4-bromo-N-[4-chloro-2-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 43411079
4-bromo-1-methyl-N-naphthalen-1-ylpyrrole-2-carboxamide
CID 43410998
4-bromo-N-(6-bromo-2-methyl-3-pyridinyl)-1-methylpyrrole-2-carboxamide
CID 113349883
1-[[1-(3-chlorophenyl)-5-methylpyrazole-4-carbonyl]amino]-3-methylurea
CID 86835858
1-(3-chlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)-5-methylpyrazole-4-carboxamide
CID 46412300
4-bromo-N-(2,6-dichloro-4-methyl-3-pyridinyl)-1-methylpyrrole-2-carboxamide
CID 114051091
4-bromo-1-methyl-N-(2-methyl-3-nitrophenyl)pyrrole-2-carboxamide
CID 60698474

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]-1-methylpyrrole-2-carboxamide (CID 99696332) is 4-bromo-N-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]-1-methylpyrrole-2-carboxamide is Cc1c(NC(=O)c2cc(Br)cn2C)cnn1-c1cccc(Cl)c1.
What is the InChIKey of 4-bromo-N-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]-1-methylpyrrole-2-carboxamide?
The InChIKey is MAJYIXXXOQPDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClN4O/c1-10-14(20-16(23)15-6-11(17)9-21(15)2)8-19-22(10)13-5-3-4-12(18)7-13/h3-9H,1-2H3,(H,20,23).
What are the key properties of 4-bromo-N-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]-1-methylpyrrole-2-carboxamide?
4-bromo-N-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]-1-methylpyrrole-2-carboxamide has a molecular weight of 393.67 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 99696332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).