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

C14H19BrN4O — CID 103007206

IUPAC4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Br)cc1C(=O)NCCc1ccnn1C
InChIInChI=1S/C14H19BrN4O/c1-3-8-19-10-11(15)9-13(19)14(20)16-6-4-12-5-7-17-18(12)2/h5,7,9-10H,3-4,6,8H2,1-2H3,(H,16,20)
InChIKeyCXDLZKMNGMYCIQ-UHFFFAOYSA-N
MW339.24 g/mol
LogP2.37
Rot. Bonds6

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

4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]-1-propylpyrrole-2-carboxamide (PubChem CID 103007206) has the molecular formula C14H19BrN4O and a molecular weight of 339.24 g/mol. Its IUPAC name is 4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]-1-propylpyrrole-2-carboxamide
PubChem CID103007206
Molecular FormulaC14H19BrN4O
Molecular Weight339.24 g/mol
Exact Mass338.07
IUPAC Name4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Br)cc1C(=O)NCCc1ccnn1C
InChIInChI=1S/C14H19BrN4O/c1-3-8-19-10-11(15)9-13(19)14(20)16-6-4-12-5-7-17-18(12)2/h5,7,9-10H,3-4,6,8H2,1-2H3,(H,16,20)
InChIKeyCXDLZKMNGMYCIQ-UHFFFAOYSA-N
XLogP2.37
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.24
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[2-(4-hydroxyphenyl)ethyl]-1-propylpyrrole-2-carboxamide
CID 61018298
4-bromo-1-ethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrrole-2-carboxamide
CID 55137906
4-bromo-1-cyclopropyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrrole-2-carboxamide
CID 103007204
4-bromo-N-(3-hydroxypropyl)-1-propylpyrrole-2-carboxamide
CID 43639903
4-bromo-1-propyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrrole-2-carboxamide
CID 64530027
4-bromo-N-[(1-methylpyrrol-2-yl)methyl]-1-propylpyrrole-2-carboxamide
CID 114186333
4-bromo-N-(3-imidazol-1-ylpropyl)-1-propylpyrrole-2-carboxamide
CID 43641423
N-[[4-(aminomethyl)phenyl]methyl]-4-bromo-1-propylpyrrole-2-carboxamide
CID 81093916
4-bromo-N-[3-(dimethylamino)-3-oxopropyl]-1-propylpyrrole-2-carboxamide
CID 54934711
N-[(4-aminophenyl)methyl]-4-bromo-1-propylpyrrole-2-carboxamide
CID 116650037
3-amino-4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
CID 103004100
1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 104693382

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]-1-propylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]-1-propylpyrrole-2-carboxamide (CID 103007206) is 4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]-1-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]-1-propylpyrrole-2-carboxamide is CCCn1cc(Br)cc1C(=O)NCCc1ccnn1C.
What is the InChIKey of 4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]-1-propylpyrrole-2-carboxamide?
The InChIKey is CXDLZKMNGMYCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4O/c1-3-8-19-10-11(15)9-13(19)14(20)16-6-4-12-5-7-17-18(12)2/h5,7,9-10H,3-4,6,8H2,1-2H3,(H,16,20).
What are the key properties of 4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]-1-propylpyrrole-2-carboxamide?
4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]-1-propylpyrrole-2-carboxamide has a molecular weight of 339.24 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 103007206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).