4-bromo-N-(1H-pyrazol-5-yl)-1H-pyrrole-2-carboxamide

C8H7BrN4O — CID 47388348

IUPAC4-bromo-N-(1H-pyrazol-5-yl)-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1ccn[nH]1)c1cc(Br)c[nH]1
InChIInChI=1S/C8H7BrN4O/c9-5-3-6(10-4-5)8(14)12-7-1-2-11-13-7/h1-4,10H,(H2,11,12,13,14)
InChIKeyVEDSVXVXPGHDCB-UHFFFAOYSA-N
MW255.08 g/mol
LogP1.75
Rot. Bonds2

About 4-bromo-N-(1H-pyrazol-5-yl)-1H-pyrrole-2-carboxamide

4-bromo-N-(1H-pyrazol-5-yl)-1H-pyrrole-2-carboxamide (PubChem CID 47388348) has the molecular formula C8H7BrN4O and a molecular weight of 255.08 g/mol. Its IUPAC name is 4-bromo-N-(1H-pyrazol-5-yl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(1H-pyrazol-5-yl)-1H-pyrrole-2-carboxamide
PubChem CID47388348
Molecular FormulaC8H7BrN4O
Molecular Weight255.08 g/mol
Exact Mass253.98
IUPAC Name4-bromo-N-(1H-pyrazol-5-yl)-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1ccn[nH]1)c1cc(Br)c[nH]1
InChIInChI=1S/C8H7BrN4O/c9-5-3-6(10-4-5)8(14)12-7-1-2-11-13-7/h1-4,10H,(H2,11,12,13,14)
InChIKeyVEDSVXVXPGHDCB-UHFFFAOYSA-N
XLogP1.75
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.08
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 55209020
4-bromo-N-pyridin-4-yl-1H-pyrrole-2-carboxamide
CID 18109255
3-bromo-5-fluoro-N-(1H-pyrazol-5-yl)benzamide
CID 61393796
N-(1H-pyrazol-5-yl)benzamide
CID 23298723
3-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64526472
4-bromo-N-(2,4,5-trichlorophenyl)-1H-pyrrole-2-carboxamide
CID 43410594
4-bromo-N-(2,4-dichlorophenyl)-1H-pyrrole-2-carboxamide
CID 36679405
4,5-dibromo-N-(1H-pyrazol-5-yl)thiophene-2-carboxamide
CID 61393424
4-bromo-N-(2,5-difluorophenyl)-1H-pyrrole-2-carboxamide
CID 43410581
2-N-hydroxy-7-N-(1H-pyrazol-5-yl)naphthalene-2,7-dicarboxamide
CID 25256604
4-bromo-N-(2,5-dichlorophenyl)-1H-pyrrole-2-carboxamide
CID 43410564
4-bromo-N-(4-bromo-3-chlorophenyl)-1H-pyrrole-2-carboxamide
CID 107613080

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1H-pyrazol-5-yl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(1H-pyrazol-5-yl)-1H-pyrrole-2-carboxamide (CID 47388348) is 4-bromo-N-(1H-pyrazol-5-yl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(1H-pyrazol-5-yl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(1H-pyrazol-5-yl)-1H-pyrrole-2-carboxamide is O=C(Nc1ccn[nH]1)c1cc(Br)c[nH]1.
What is the InChIKey of 4-bromo-N-(1H-pyrazol-5-yl)-1H-pyrrole-2-carboxamide?
The InChIKey is VEDSVXVXPGHDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN4O/c9-5-3-6(10-4-5)8(14)12-7-1-2-11-13-7/h1-4,10H,(H2,11,12,13,14).
What are the key properties of 4-bromo-N-(1H-pyrazol-5-yl)-1H-pyrrole-2-carboxamide?
4-bromo-N-(1H-pyrazol-5-yl)-1H-pyrrole-2-carboxamide has a molecular weight of 255.08 g/mol, XLogP of 1.75, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1H-pyrazol-5-yl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 47388348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).