4-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-1-ethylpyrrole-2-carboxamide

C14H19BrN4O — CID 115603586

IUPAC4-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-1-ethylpyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)Nc1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C14H19BrN4O/c1-5-19-8-9(15)6-10(19)13(20)16-12-7-11(17-18-12)14(2,3)4/h6-8H,5H2,1-4H3,(H2,16,17,18,20)
InChIKeyVFUGYEDWERSNAD-UHFFFAOYSA-N
MW339.24 g/mol
LogP3.54
Rot. Bonds3

About 4-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-1-ethylpyrrole-2-carboxamide

4-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-1-ethylpyrrole-2-carboxamide (PubChem CID 115603586) has the molecular formula C14H19BrN4O and a molecular weight of 339.24 g/mol. Its IUPAC name is 4-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-1-ethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-1-ethylpyrrole-2-carboxamide
PubChem CID115603586
Molecular FormulaC14H19BrN4O
Molecular Weight339.24 g/mol
Exact Mass338.07
IUPAC Name4-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-1-ethylpyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)Nc1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C14H19BrN4O/c1-5-19-8-9(15)6-10(19)13(20)16-12-7-11(17-18-12)14(2,3)4/h6-8H,5H2,1-4H3,(H2,16,17,18,20)
InChIKeyVFUGYEDWERSNAD-UHFFFAOYSA-N
XLogP3.54
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.24
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-1-ethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrrole-2-carboxamide
CID 112688410
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CID 112688842
4-bromo-N-(2,2-dimethylbutyl)-1-ethylpyrrole-2-carboxamide
CID 103461921
4-bromo-1-ethyl-N-methylpyrrole-2-carboxamide
CID 43640635
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4-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-hydroxybenzamide
CID 115603581
4-bromo-1-ethyl-N-(2-methyl-2-methylsulfanylpropyl)pyrrole-2-carboxamide
CID 115665017
4-bromo-N-(2,3-dihydroxy-2-methylpropyl)-1-ethylpyrrole-2-carboxamide
CID 66170742
5-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-iodobenzamide
CID 104619953
2-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-ethylbutanamide
CID 104618583
4-bromo-1-ethyl-N-(2,4,5-trifluorophenyl)pyrrole-2-carboxamide
CID 62816949
3-[(4-bromo-1-ethylpyrrole-2-carbonyl)amino]-2,2,3-trimethylbutanoic acid
CID 65261690

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-1-ethylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-1-ethylpyrrole-2-carboxamide (CID 115603586) is 4-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-1-ethylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-1-ethylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-1-ethylpyrrole-2-carboxamide is CCn1cc(Br)cc1C(=O)Nc1cc(C(C)(C)C)[nH]n1.
What is the InChIKey of 4-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-1-ethylpyrrole-2-carboxamide?
The InChIKey is VFUGYEDWERSNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4O/c1-5-19-8-9(15)6-10(19)13(20)16-12-7-11(17-18-12)14(2,3)4/h6-8H,5H2,1-4H3,(H2,16,17,18,20).
What are the key properties of 4-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-1-ethylpyrrole-2-carboxamide?
4-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-1-ethylpyrrole-2-carboxamide has a molecular weight of 339.24 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-1-ethylpyrrole-2-carboxamide is sourced from PubChem (CID 115603586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).