4-bromo-1-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrrole-2-carboxamide

C12H15BrN4O — CID 60698314

IUPAC4-bromo-1-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrrole-2-carboxamide
SMILESCc1nn(C)c(C)c1NC(=O)c1cc(Br)cn1C
InChIInChI=1S/C12H15BrN4O/c1-7-11(8(2)17(4)15-7)14-12(18)10-5-9(13)6-16(10)3/h5-6H,1-4H3,(H,14,18)
InChIKeyMWUVOGKIDKRQKQ-UHFFFAOYSA-N
MW311.18 g/mol
LogP2.39
Rot. Bonds2

About 4-bromo-1-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrrole-2-carboxamide

4-bromo-1-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrrole-2-carboxamide (PubChem CID 60698314) has the molecular formula C12H15BrN4O and a molecular weight of 311.18 g/mol. Its IUPAC name is 4-bromo-1-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrrole-2-carboxamide
PubChem CID60698314
Molecular FormulaC12H15BrN4O
Molecular Weight311.18 g/mol
Exact Mass310.04
IUPAC Name4-bromo-1-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrrole-2-carboxamide
SMILESCc1nn(C)c(C)c1NC(=O)c1cc(Br)cn1C
InChIInChI=1S/C12H15BrN4O/c1-7-11(8(2)17(4)15-7)14-12(18)10-5-9(13)6-16(10)3/h5-6H,1-4H3,(H,14,18)
InChIKeyMWUVOGKIDKRQKQ-UHFFFAOYSA-N
XLogP2.39
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-1-propyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrrole-2-carboxamide
CID 60956374
4-bromo-N-(2,6-dichloro-4-methyl-3-pyridinyl)-1-methylpyrrole-2-carboxamide
CID 114051091
4-bromo-N-(4,6-dimethylpyrimidin-2-yl)-1-methylpyrrole-2-carboxamide
CID 43411301
4-bromo-N-(2,6-difluorophenyl)-1-methylpyrrole-2-carboxamide
CID 43411067
4-bromo-N-(6-bromo-2-methyl-3-pyridinyl)-1-methylpyrrole-2-carboxamide
CID 113349883
4-bromo-N-(4-bromo-2-methoxy-6-methylphenyl)-1-methylpyrrole-2-carboxamide
CID 60934499
4-bromo-1-methyl-N-(3-methyl-1,2-oxazol-5-yl)pyrrole-2-carboxamide
CID 43640717
4-bromo-N-(3,4-dimethylphenyl)-1-methylpyrrole-2-carboxamide
CID 43410978
4-bromo-N-(3-iodo-4-methylphenyl)-1-methylpyrrole-2-carboxamide
CID 60698312
3-amino-N-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 64524039
5-amino-2,4-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 102705170
2,5-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)furan-3-carboxamide
CID 24655014

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrrole-2-carboxamide (CID 60698314) is 4-bromo-1-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrrole-2-carboxamide is Cc1nn(C)c(C)c1NC(=O)c1cc(Br)cn1C.
What is the InChIKey of 4-bromo-1-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrrole-2-carboxamide?
The InChIKey is MWUVOGKIDKRQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4O/c1-7-11(8(2)17(4)15-7)14-12(18)10-5-9(13)6-16(10)3/h5-6H,1-4H3,(H,14,18).
What are the key properties of 4-bromo-1-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrrole-2-carboxamide?
4-bromo-1-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrrole-2-carboxamide has a molecular weight of 311.18 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 60698314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).