4-bromo-1-propan-2-yl-N-[4-(1H-pyrazol-5-yl)phenyl]pyrrole-2-carboxamide

C17H17BrN4O — CID 78895551

IUPAC4-bromo-1-propan-2-yl-N-[4-(1H-pyrazol-5-yl)phenyl]pyrrole-2-carboxamide
SMILESCC(C)n1cc(Br)cc1C(=O)Nc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C17H17BrN4O/c1-11(2)22-10-13(18)9-16(22)17(23)20-14-5-3-12(4-6-14)15-7-8-19-21-15/h3-11H,1-2H3,(H,19,21)(H,20,23)
InChIKeyACMRBNSRGVZBQP-UHFFFAOYSA-N
MW373.25 g/mol
LogP4.47
Rot. Bonds4

About 4-bromo-1-propan-2-yl-N-[4-(1H-pyrazol-5-yl)phenyl]pyrrole-2-carboxamide

4-bromo-1-propan-2-yl-N-[4-(1H-pyrazol-5-yl)phenyl]pyrrole-2-carboxamide (PubChem CID 78895551) has the molecular formula C17H17BrN4O and a molecular weight of 373.25 g/mol. Its IUPAC name is 4-bromo-1-propan-2-yl-N-[4-(1H-pyrazol-5-yl)phenyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-propan-2-yl-N-[4-(1H-pyrazol-5-yl)phenyl]pyrrole-2-carboxamide
PubChem CID78895551
Molecular FormulaC17H17BrN4O
Molecular Weight373.25 g/mol
Exact Mass372.06
IUPAC Name4-bromo-1-propan-2-yl-N-[4-(1H-pyrazol-5-yl)phenyl]pyrrole-2-carboxamide
SMILESCC(C)n1cc(Br)cc1C(=O)Nc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C17H17BrN4O/c1-11(2)22-10-13(18)9-16(22)17(23)20-14-5-3-12(4-6-14)15-7-8-19-21-15/h3-11H,1-2H3,(H,19,21)(H,20,23)
InChIKeyACMRBNSRGVZBQP-UHFFFAOYSA-N
XLogP4.47
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(4-bromophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43640158
N-(4-acetylphenyl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide
CID 60954488
4-bromo-N-(2-methyl-4-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 79035675
2,5-dimethyl-N-[4-(1H-pyrazol-5-yl)phenyl]pyrazole-3-carboxamide
CID 61069082
4-bromo-N-(3,5-dichlorophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43640867
4-bromo-N-(4-fluoro-3-methoxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 114839980
4-bromo-N-(1H-imidazol-2-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 63562551
(2S)-2-amino-4-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]pentanamide
CID 61179187
4-bromo-N-(4-methyl-2-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43641275
(2S)-2-amino-4-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]pentanamide;hydrochloride
CID 119399823
4-bromo-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 78895679
2-bromo-N-[4-(1H-pyrazol-5-yl)phenyl]furan-3-carboxamide
CID 106853299

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-propan-2-yl-N-[4-(1H-pyrazol-5-yl)phenyl]pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-propan-2-yl-N-[4-(1H-pyrazol-5-yl)phenyl]pyrrole-2-carboxamide (CID 78895551) is 4-bromo-1-propan-2-yl-N-[4-(1H-pyrazol-5-yl)phenyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-propan-2-yl-N-[4-(1H-pyrazol-5-yl)phenyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-propan-2-yl-N-[4-(1H-pyrazol-5-yl)phenyl]pyrrole-2-carboxamide is CC(C)n1cc(Br)cc1C(=O)Nc1ccc(-c2ccn[nH]2)cc1.
What is the InChIKey of 4-bromo-1-propan-2-yl-N-[4-(1H-pyrazol-5-yl)phenyl]pyrrole-2-carboxamide?
The InChIKey is ACMRBNSRGVZBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN4O/c1-11(2)22-10-13(18)9-16(22)17(23)20-14-5-3-12(4-6-14)15-7-8-19-21-15/h3-11H,1-2H3,(H,19,21)(H,20,23).
What are the key properties of 4-bromo-1-propan-2-yl-N-[4-(1H-pyrazol-5-yl)phenyl]pyrrole-2-carboxamide?
4-bromo-1-propan-2-yl-N-[4-(1H-pyrazol-5-yl)phenyl]pyrrole-2-carboxamide has a molecular weight of 373.25 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-propan-2-yl-N-[4-(1H-pyrazol-5-yl)phenyl]pyrrole-2-carboxamide is sourced from PubChem (CID 78895551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).