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

C14H17BrN4O — CID 62904631

IUPAC4-bromo-1-cyclopropyl-N-(1-propan-2-ylpyrazol-4-yl)pyrrole-2-carboxamide
SMILESCC(C)n1cc(NC(=O)c2cc(Br)cn2C2CC2)cn1
InChIInChI=1S/C14H17BrN4O/c1-9(2)19-8-11(6-16-19)17-14(20)13-5-10(15)7-18(13)12-3-4-12/h5-9,12H,3-4H2,1-2H3,(H,17,20)
InChIKeyGJECMVNDVSNYPZ-UHFFFAOYSA-N
MW337.22 g/mol
LogP3.62
Rot. Bonds4

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

4-bromo-1-cyclopropyl-N-(1-propan-2-ylpyrazol-4-yl)pyrrole-2-carboxamide (PubChem CID 62904631) has the molecular formula C14H17BrN4O and a molecular weight of 337.22 g/mol. Its IUPAC name is 4-bromo-1-cyclopropyl-N-(1-propan-2-ylpyrazol-4-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-cyclopropyl-N-(1-propan-2-ylpyrazol-4-yl)pyrrole-2-carboxamide
PubChem CID62904631
Molecular FormulaC14H17BrN4O
Molecular Weight337.22 g/mol
Exact Mass336.06
IUPAC Name4-bromo-1-cyclopropyl-N-(1-propan-2-ylpyrazol-4-yl)pyrrole-2-carboxamide
SMILESCC(C)n1cc(NC(=O)c2cc(Br)cn2C2CC2)cn1
InChIInChI=1S/C14H17BrN4O/c1-9(2)19-8-11(6-16-19)17-14(20)13-5-10(15)7-18(13)12-3-4-12/h5-9,12H,3-4H2,1-2H3,(H,17,20)
InChIKeyGJECMVNDVSNYPZ-UHFFFAOYSA-N
XLogP3.62
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-1-cyclopropyl-N-(1-ethylpyrazol-4-yl)pyrrole-2-carboxamide
CID 43641679
4-bromo-1-cyclopropyl-N-(3,5-dimethylphenyl)pyrrole-2-carboxamide
CID 43641085
4-bromo-1-cyclopropyl-N-(3,4-dichlorophenyl)pyrrole-2-carboxamide
CID 43640889
4-bromo-1-cyclopropyl-N-(6-methoxy-3-pyridinyl)pyrrole-2-carboxamide
CID 43640546
4-bromo-1-cyclopropyl-N-[6-(dimethylamino)-3-pyridinyl]pyrrole-2-carboxamide
CID 60954660
2-[(4-bromo-1-cyclopropylpyrrole-2-carbonyl)amino]propanoic acid
CID 43640386
4-bromo-N-(1-cyclohexylethyl)-1-cyclopropylpyrrole-2-carboxamide
CID 63524255
4-bromo-1-cyclopropyl-N-(4-propylphenyl)pyrrole-2-carboxamide
CID 43641616
4-bromo-N-(3-chloro-4-methylphenyl)-1-cyclopropylpyrrole-2-carboxamide
CID 43640750
N-(1-amino-1-oxopropan-2-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide
CID 43641687
4-bromo-1-cyclopropyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrole-2-carboxamide
CID 60954815
4-bromo-N-(4-bromo-3-methoxyphenyl)-1-cyclopropylpyrrole-2-carboxamide
CID 82858850

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-cyclopropyl-N-(1-propan-2-ylpyrazol-4-yl)pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-cyclopropyl-N-(1-propan-2-ylpyrazol-4-yl)pyrrole-2-carboxamide (CID 62904631) is 4-bromo-1-cyclopropyl-N-(1-propan-2-ylpyrazol-4-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-cyclopropyl-N-(1-propan-2-ylpyrazol-4-yl)pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-cyclopropyl-N-(1-propan-2-ylpyrazol-4-yl)pyrrole-2-carboxamide is CC(C)n1cc(NC(=O)c2cc(Br)cn2C2CC2)cn1.
What is the InChIKey of 4-bromo-1-cyclopropyl-N-(1-propan-2-ylpyrazol-4-yl)pyrrole-2-carboxamide?
The InChIKey is GJECMVNDVSNYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O/c1-9(2)19-8-11(6-16-19)17-14(20)13-5-10(15)7-18(13)12-3-4-12/h5-9,12H,3-4H2,1-2H3,(H,17,20).
What are the key properties of 4-bromo-1-cyclopropyl-N-(1-propan-2-ylpyrazol-4-yl)pyrrole-2-carboxamide?
4-bromo-1-cyclopropyl-N-(1-propan-2-ylpyrazol-4-yl)pyrrole-2-carboxamide has a molecular weight of 337.22 g/mol, XLogP of 3.62, 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-propan-2-ylpyrazol-4-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 62904631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).