4-bromo-N-(1-methylpyrazol-3-yl)-1-propylpyrrole-2-carboxamide

C12H15BrN4O — CID 54921090

IUPAC4-bromo-N-(1-methylpyrazol-3-yl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Br)cc1C(=O)Nc1ccn(C)n1
InChIInChI=1S/C12H15BrN4O/c1-3-5-17-8-9(13)7-10(17)12(18)14-11-4-6-16(2)15-11/h4,6-8H,3,5H2,1-2H3,(H,14,15,18)
InChIKeyPANWEHCZLKUPEZ-UHFFFAOYSA-N
MW311.18 g/mol
LogP2.65
Rot. Bonds4

About 4-bromo-N-(1-methylpyrazol-3-yl)-1-propylpyrrole-2-carboxamide

4-bromo-N-(1-methylpyrazol-3-yl)-1-propylpyrrole-2-carboxamide (PubChem CID 54921090) has the molecular formula C12H15BrN4O and a molecular weight of 311.18 g/mol. Its IUPAC name is 4-bromo-N-(1-methylpyrazol-3-yl)-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(1-methylpyrazol-3-yl)-1-propylpyrrole-2-carboxamide
PubChem CID54921090
Molecular FormulaC12H15BrN4O
Molecular Weight311.18 g/mol
Exact Mass310.04
IUPAC Name4-bromo-N-(1-methylpyrazol-3-yl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Br)cc1C(=O)Nc1ccn(C)n1
InChIInChI=1S/C12H15BrN4O/c1-3-5-17-8-9(13)7-10(17)12(18)14-11-4-6-16(2)15-11/h4,6-8H,3,5H2,1-2H3,(H,14,15,18)
InChIKeyPANWEHCZLKUPEZ-UHFFFAOYSA-N
XLogP2.65
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1-methylpyrazol-3-yl)-1-propylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(1-methylpyrazol-3-yl)-1-propylpyrrole-2-carboxamide (CID 54921090) is 4-bromo-N-(1-methylpyrazol-3-yl)-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(1-methylpyrazol-3-yl)-1-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(1-methylpyrazol-3-yl)-1-propylpyrrole-2-carboxamide is CCCn1cc(Br)cc1C(=O)Nc1ccn(C)n1.
What is the InChIKey of 4-bromo-N-(1-methylpyrazol-3-yl)-1-propylpyrrole-2-carboxamide?
The InChIKey is PANWEHCZLKUPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4O/c1-3-5-17-8-9(13)7-10(17)12(18)14-11-4-6-16(2)15-11/h4,6-8H,3,5H2,1-2H3,(H,14,15,18).
What are the key properties of 4-bromo-N-(1-methylpyrazol-3-yl)-1-propylpyrrole-2-carboxamide?
4-bromo-N-(1-methylpyrazol-3-yl)-1-propylpyrrole-2-carboxamide has a molecular weight of 311.18 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1-methylpyrazol-3-yl)-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 54921090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).