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

C14H19BrN4O — CID 104627181

IUPAC4-bromo-N-[2-(1-methylpyrazol-3-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cc(Br)cc1C(=O)NCCc1ccn(C)n1
InChIInChI=1S/C14H19BrN4O/c1-10(2)19-9-11(15)8-13(19)14(20)16-6-4-12-5-7-18(3)17-12/h5,7-10H,4,6H2,1-3H3,(H,16,20)
InChIKeyPAOCHFYFYWCYGY-UHFFFAOYSA-N
MW339.24 g/mol
LogP2.54
Rot. Bonds5

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

4-bromo-N-[2-(1-methylpyrazol-3-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 104627181) has the molecular formula C14H19BrN4O and a molecular weight of 339.24 g/mol. Its IUPAC name is 4-bromo-N-[2-(1-methylpyrazol-3-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[2-(1-methylpyrazol-3-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID104627181
Molecular FormulaC14H19BrN4O
Molecular Weight339.24 g/mol
Exact Mass338.07
IUPAC Name4-bromo-N-[2-(1-methylpyrazol-3-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cc(Br)cc1C(=O)NCCc1ccn(C)n1
InChIInChI=1S/C14H19BrN4O/c1-10(2)19-9-11(15)8-13(19)14(20)16-6-4-12-5-7-18(3)17-12/h5,7-10H,4,6H2,1-3H3,(H,16,20)
InChIKeyPAOCHFYFYWCYGY-UHFFFAOYSA-N
XLogP2.54
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.24
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-(1-methylpyrazol-3-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 60808516
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4-bromo-N-(4-methylpentyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 54913924
N-(3-aminobutyl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide
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4-bromo-N-[2-(3-fluorophenyl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 43641734
4-bromo-1-propan-2-yl-N-(2-pyridin-3-ylethyl)pyrrole-2-carboxamide
CID 60914798
4-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 78885111
2-[(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)amino]ethyl carbamate
CID 83203517
4-bromo-N-[3-(ethylamino)propyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 43640199
4-bromo-N-[2-(2-hydroxypropylamino)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 104593748
2-chloro-N-[2-(1-methylpyrazol-3-yl)ethyl]propanamide
CID 106104407
4-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 78895723

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(1-methylpyrazol-3-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-[2-(1-methylpyrazol-3-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide (CID 104627181) is 4-bromo-N-[2-(1-methylpyrazol-3-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[2-(1-methylpyrazol-3-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[2-(1-methylpyrazol-3-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide is CC(C)n1cc(Br)cc1C(=O)NCCc1ccn(C)n1.
What is the InChIKey of 4-bromo-N-[2-(1-methylpyrazol-3-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is PAOCHFYFYWCYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4O/c1-10(2)19-9-11(15)8-13(19)14(20)16-6-4-12-5-7-18(3)17-12/h5,7-10H,4,6H2,1-3H3,(H,16,20).
What are the key properties of 4-bromo-N-[2-(1-methylpyrazol-3-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide?
4-bromo-N-[2-(1-methylpyrazol-3-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 339.24 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(1-methylpyrazol-3-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 104627181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).