4-bromo-1-cyclopropyl-N-(4,5-dimethyl-1H-pyrazol-3-yl)pyrrole-2-carboxamide

C13H15BrN4O — CID 113433723

IUPAC4-bromo-1-cyclopropyl-N-(4,5-dimethyl-1H-pyrazol-3-yl)pyrrole-2-carboxamide
SMILESCc1[nH]nc(NC(=O)c2cc(Br)cn2C2CC2)c1C
InChIInChI=1S/C13H15BrN4O/c1-7-8(2)16-17-12(7)15-13(19)11-5-9(14)6-18(11)10-3-4-10/h5-6,10H,3-4H2,1-2H3,(H2,15,16,17,19)
InChIKeyZRTXRDUPDRPTDU-UHFFFAOYSA-N
MW323.19 g/mol
LogP3.18
Rot. Bonds3

About 4-bromo-1-cyclopropyl-N-(4,5-dimethyl-1H-pyrazol-3-yl)pyrrole-2-carboxamide

4-bromo-1-cyclopropyl-N-(4,5-dimethyl-1H-pyrazol-3-yl)pyrrole-2-carboxamide (PubChem CID 113433723) has the molecular formula C13H15BrN4O and a molecular weight of 323.19 g/mol. Its IUPAC name is 4-bromo-1-cyclopropyl-N-(4,5-dimethyl-1H-pyrazol-3-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-cyclopropyl-N-(4,5-dimethyl-1H-pyrazol-3-yl)pyrrole-2-carboxamide
PubChem CID113433723
Molecular FormulaC13H15BrN4O
Molecular Weight323.19 g/mol
Exact Mass322.04
IUPAC Name4-bromo-1-cyclopropyl-N-(4,5-dimethyl-1H-pyrazol-3-yl)pyrrole-2-carboxamide
SMILESCc1[nH]nc(NC(=O)c2cc(Br)cn2C2CC2)c1C
InChIInChI=1S/C13H15BrN4O/c1-7-8(2)16-17-12(7)15-13(19)11-5-9(14)6-18(11)10-3-4-10/h5-6,10H,3-4H2,1-2H3,(H2,15,16,17,19)
InChIKeyZRTXRDUPDRPTDU-UHFFFAOYSA-N
XLogP3.18
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-1-cyclopropyl-N-(3,5-dimethylphenyl)pyrrole-2-carboxamide
CID 43641085
N-(4,5-dimethyl-1H-pyrazol-3-yl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 104618886
4-bromo-1-cyclopropyl-N-(4-hydroxy-2,5-dimethylphenyl)pyrrole-2-carboxamide
CID 106954519
4-bromo-1-cyclopropyl-N-(4-methyl-3-pyridinyl)pyrrole-2-carboxamide
CID 63327596
4-bromo-1-cyclopropyl-N-(2-methyl-3-pyridinyl)pyrrole-2-carboxamide
CID 79044242
4-bromo-1-cyclopropyl-N-(3,4-dichlorophenyl)pyrrole-2-carboxamide
CID 43640889
4-bromo-1-cyclopropyl-N-(1,3,4-thiadiazol-2-yl)pyrrole-2-carboxamide
CID 43641260
4-bromo-1-cyclopropyl-N-(1-ethylpyrazol-4-yl)pyrrole-2-carboxamide
CID 43641679
4-bromo-N-(3-chloro-4-methylphenyl)-1-cyclopropylpyrrole-2-carboxamide
CID 43640750
N-(azetidin-3-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide
CID 66187704
4-bromo-1-cyclopropyl-N-(2,4-dibromophenyl)pyrrole-2-carboxamide
CID 60954928
4-bromo-1-cyclopropyl-N-(2,4,5-trifluorophenyl)pyrrole-2-carboxamide
CID 62814713

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-cyclopropyl-N-(4,5-dimethyl-1H-pyrazol-3-yl)pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-cyclopropyl-N-(4,5-dimethyl-1H-pyrazol-3-yl)pyrrole-2-carboxamide (CID 113433723) is 4-bromo-1-cyclopropyl-N-(4,5-dimethyl-1H-pyrazol-3-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-cyclopropyl-N-(4,5-dimethyl-1H-pyrazol-3-yl)pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-cyclopropyl-N-(4,5-dimethyl-1H-pyrazol-3-yl)pyrrole-2-carboxamide is Cc1[nH]nc(NC(=O)c2cc(Br)cn2C2CC2)c1C.
What is the InChIKey of 4-bromo-1-cyclopropyl-N-(4,5-dimethyl-1H-pyrazol-3-yl)pyrrole-2-carboxamide?
The InChIKey is ZRTXRDUPDRPTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O/c1-7-8(2)16-17-12(7)15-13(19)11-5-9(14)6-18(11)10-3-4-10/h5-6,10H,3-4H2,1-2H3,(H2,15,16,17,19).
What are the key properties of 4-bromo-1-cyclopropyl-N-(4,5-dimethyl-1H-pyrazol-3-yl)pyrrole-2-carboxamide?
4-bromo-1-cyclopropyl-N-(4,5-dimethyl-1H-pyrazol-3-yl)pyrrole-2-carboxamide has a molecular weight of 323.19 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-cyclopropyl-N-(4,5-dimethyl-1H-pyrazol-3-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 113433723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).