5-(4-bromophenyl)-N-(2-propylpyrazol-3-yl)pentanamide

C17H22BrN3O — CID 55760974

IUPAC5-(4-bromophenyl)-N-(2-propylpyrazol-3-yl)pentanamide
SMILESCCCn1nccc1NC(=O)CCCCc1ccc(Br)cc1
InChIInChI=1S/C17H22BrN3O/c1-2-13-21-16(11-12-19-21)20-17(22)6-4-3-5-14-7-9-15(18)10-8-14/h7-12H,2-6,13H2,1H3,(H,20,22)
InChIKeyOFCCNZGITVLWOZ-UHFFFAOYSA-N
MW364.29 g/mol
LogP4.41
Rot. Bonds8

About 5-(4-bromophenyl)-N-(2-propylpyrazol-3-yl)pentanamide

5-(4-bromophenyl)-N-(2-propylpyrazol-3-yl)pentanamide (PubChem CID 55760974) has the molecular formula C17H22BrN3O and a molecular weight of 364.29 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-(2-propylpyrazol-3-yl)pentanamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-(2-propylpyrazol-3-yl)pentanamide
PubChem CID55760974
Molecular FormulaC17H22BrN3O
Molecular Weight364.29 g/mol
Exact Mass363.09
IUPAC Name5-(4-bromophenyl)-N-(2-propylpyrazol-3-yl)pentanamide
SMILESCCCn1nccc1NC(=O)CCCCc1ccc(Br)cc1
InChIInChI=1S/C17H22BrN3O/c1-2-13-21-16(11-12-19-21)20-17(22)6-4-3-5-14-7-9-15(18)10-8-14/h7-12H,2-6,13H2,1H3,(H,20,22)
InChIKeyOFCCNZGITVLWOZ-UHFFFAOYSA-N
XLogP4.41
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.29
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]propanamide
CID 86907615
N-(2-propylpyrazol-3-yl)-3-thiophen-3-ylpropanamide
CID 38995471
4-amino-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]pentanamide
CID 120559345
4-(methylamino)-N-[2-(2-phenylethyl)pyrazol-3-yl]butanamide;hydrochloride
CID 119710915
2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-butylpyrazol-3-yl)acetamide
CID 55968028
N-(2-butylpyrazol-3-yl)-2-chloroacetamide
CID 50987917
N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]hexanamide
CID 38996990
5-(4-bromophenyl)-N-(4-methyl-3-pyridinyl)pentanamide
CID 166195436
5-(4-bromophenyl)-N'-methylpentanehydrazide
CID 116846599
5-(4-bromophenyl)-N-pyridin-3-ylpentanamide
CID 166191110
4-amino-N-[2-(2-phenylethyl)pyrazol-3-yl]pentanamide
CID 120559913
2-[2-hydroxyethyl(methyl)amino]-N-(2-propylpyrazol-3-yl)acetamide
CID 111123044

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N-(2-propylpyrazol-3-yl)pentanamide?
The IUPAC name of 5-(4-bromophenyl)-N-(2-propylpyrazol-3-yl)pentanamide (CID 55760974) is 5-(4-bromophenyl)-N-(2-propylpyrazol-3-yl)pentanamide.
What is the SMILES notation for 5-(4-bromophenyl)-N-(2-propylpyrazol-3-yl)pentanamide?
The canonical SMILES for 5-(4-bromophenyl)-N-(2-propylpyrazol-3-yl)pentanamide is CCCn1nccc1NC(=O)CCCCc1ccc(Br)cc1.
What is the InChIKey of 5-(4-bromophenyl)-N-(2-propylpyrazol-3-yl)pentanamide?
The InChIKey is OFCCNZGITVLWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN3O/c1-2-13-21-16(11-12-19-21)20-17(22)6-4-3-5-14-7-9-15(18)10-8-14/h7-12H,2-6,13H2,1H3,(H,20,22).
What are the key properties of 5-(4-bromophenyl)-N-(2-propylpyrazol-3-yl)pentanamide?
5-(4-bromophenyl)-N-(2-propylpyrazol-3-yl)pentanamide has a molecular weight of 364.29 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-N-(2-propylpyrazol-3-yl)pentanamide is sourced from PubChem (CID 55760974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).