4-bromo-1-cyclopropyl-N-(1-ethylpyrazol-4-yl)pyrrole-2-carboxamide

C13H15BrN4O — CID 43641679

IUPAC4-bromo-1-cyclopropyl-N-(1-ethylpyrazol-4-yl)pyrrole-2-carboxamide
SMILESCCn1cc(NC(=O)c2cc(Br)cn2C2CC2)cn1
InChIInChI=1S/C13H15BrN4O/c1-2-17-8-10(6-15-17)16-13(19)12-5-9(14)7-18(12)11-3-4-11/h5-8,11H,2-4H2,1H3,(H,16,19)
InChIKeyDFNROGPJTIIWIN-UHFFFAOYSA-N
MW323.19 g/mol
LogP3.05
Rot. Bonds4

About 4-bromo-1-cyclopropyl-N-(1-ethylpyrazol-4-yl)pyrrole-2-carboxamide

4-bromo-1-cyclopropyl-N-(1-ethylpyrazol-4-yl)pyrrole-2-carboxamide (PubChem CID 43641679) has the molecular formula C13H15BrN4O and a molecular weight of 323.19 g/mol. Its IUPAC name is 4-bromo-1-cyclopropyl-N-(1-ethylpyrazol-4-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-cyclopropyl-N-(1-ethylpyrazol-4-yl)pyrrole-2-carboxamide
PubChem CID43641679
Molecular FormulaC13H15BrN4O
Molecular Weight323.19 g/mol
Exact Mass322.04
IUPAC Name4-bromo-1-cyclopropyl-N-(1-ethylpyrazol-4-yl)pyrrole-2-carboxamide
SMILESCCn1cc(NC(=O)c2cc(Br)cn2C2CC2)cn1
InChIInChI=1S/C13H15BrN4O/c1-2-17-8-10(6-15-17)16-13(19)12-5-9(14)7-18(12)11-3-4-11/h5-8,11H,2-4H2,1H3,(H,16,19)
InChIKeyDFNROGPJTIIWIN-UHFFFAOYSA-N
XLogP3.05
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-1-cyclopropyl-N-(1-propan-2-ylpyrazol-4-yl)pyrrole-2-carboxamide
CID 62904631
4-bromo-1-cyclopropyl-N-(3,5-dimethylphenyl)pyrrole-2-carboxamide
CID 43641085
4-bromo-1-cyclopropyl-N-(4-propylphenyl)pyrrole-2-carboxamide
CID 43641616
4-bromo-1-cyclopropyl-N-(3,4-dichlorophenyl)pyrrole-2-carboxamide
CID 43640889
4-bromo-1-cyclopropyl-N-[6-(dimethylamino)-3-pyridinyl]pyrrole-2-carboxamide
CID 60954660
4-bromo-1-cyclopropyl-N-(6-methoxy-3-pyridinyl)pyrrole-2-carboxamide
CID 43640546
4-bromo-1-cyclopropyl-N-(4-methyl-3-pyridinyl)pyrrole-2-carboxamide
CID 63327596
4-bromo-1-cyclopropyl-N-[4-(2-hydroxyethyl)phenyl]pyrrole-2-carboxamide
CID 61222503
4-bromo-1-cyclopropyl-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrrole-2-carboxamide
CID 80683115
4-bromo-1-cyclopropyl-N-(3-methoxypropyl)pyrrole-2-carboxamide
CID 43641446
4-bromo-1-cyclopropyl-N-[2-(propylamino)ethyl]pyrrole-2-carboxamide
CID 62659546
4-bromo-1-cyclopropyl-N-(2-ethylsulfonylethyl)pyrrole-2-carboxamide
CID 114111098

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-cyclopropyl-N-(1-ethylpyrazol-4-yl)pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-cyclopropyl-N-(1-ethylpyrazol-4-yl)pyrrole-2-carboxamide (CID 43641679) is 4-bromo-1-cyclopropyl-N-(1-ethylpyrazol-4-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-cyclopropyl-N-(1-ethylpyrazol-4-yl)pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-cyclopropyl-N-(1-ethylpyrazol-4-yl)pyrrole-2-carboxamide is CCn1cc(NC(=O)c2cc(Br)cn2C2CC2)cn1.
What is the InChIKey of 4-bromo-1-cyclopropyl-N-(1-ethylpyrazol-4-yl)pyrrole-2-carboxamide?
The InChIKey is DFNROGPJTIIWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O/c1-2-17-8-10(6-15-17)16-13(19)12-5-9(14)7-18(12)11-3-4-11/h5-8,11H,2-4H2,1H3,(H,16,19).
What are the key properties of 4-bromo-1-cyclopropyl-N-(1-ethylpyrazol-4-yl)pyrrole-2-carboxamide?
4-bromo-1-cyclopropyl-N-(1-ethylpyrazol-4-yl)pyrrole-2-carboxamide has a molecular weight of 323.19 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-cyclopropyl-N-(1-ethylpyrazol-4-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 43641679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).