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

C11H13BrN4O — CID 104694698

IUPAC4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrrole-2-carboxamide
SMILESCn1nccc1CCNC(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C11H13BrN4O/c1-16-9(3-5-15-16)2-4-13-11(17)10-6-8(12)7-14-10/h3,5-7,14H,2,4H2,1H3,(H,13,17)
InChIKeyMZHYEDNIGFIJRU-UHFFFAOYSA-N
MW297.16 g/mol
LogP1.48
Rot. Bonds4

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

4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrrole-2-carboxamide (PubChem CID 104694698) has the molecular formula C11H13BrN4O and a molecular weight of 297.16 g/mol. Its IUPAC name is 4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrrole-2-carboxamide
PubChem CID104694698
Molecular FormulaC11H13BrN4O
Molecular Weight297.16 g/mol
Exact Mass296.03
IUPAC Name4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrrole-2-carboxamide
SMILESCn1nccc1CCNC(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C11H13BrN4O/c1-16-9(3-5-15-16)2-4-13-11(17)10-6-8(12)7-14-10/h3,5-7,14H,2,4H2,1H3,(H,13,17)
InChIKeyMZHYEDNIGFIJRU-UHFFFAOYSA-N
XLogP1.48
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.16
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridine-4-carboxamide
CID 104693681
5-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-3-carboxamide
CID 104693664
5-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-2-carboxamide
CID 104693703
3-amino-4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
CID 103004100
5-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]furan-2-carboxamide
CID 104693705
4-bromo-N-[2-(5-bromothiophen-2-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 30124717
4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]-1-propylpyrrole-2-carboxamide
CID 103007206
1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 104693382
3,4,5-trifluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
CID 104693722
6-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridazine-3-carboxamide
CID 103005660
2,5-dihydroxy-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
CID 107723981
5-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 103005665

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrrole-2-carboxamide (CID 104694698) is 4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrrole-2-carboxamide is Cn1nccc1CCNC(=O)c1cc(Br)c[nH]1.
What is the InChIKey of 4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrrole-2-carboxamide?
The InChIKey is MZHYEDNIGFIJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4O/c1-16-9(3-5-15-16)2-4-13-11(17)10-6-8(12)7-14-10/h3,5-7,14H,2,4H2,1H3,(H,13,17).
What are the key properties of 4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrrole-2-carboxamide?
4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrrole-2-carboxamide has a molecular weight of 297.16 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 104694698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).