4-propan-2-yl-N-(5-propyl-1H-pyrazol-3-yl)benzamide

C16H21N3O — CID 115619793

IUPAC4-propan-2-yl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
SMILESCCCc1cc(NC(=O)c2ccc(C(C)C)cc2)n[nH]1
InChIInChI=1S/C16H21N3O/c1-4-5-14-10-15(19-18-14)17-16(20)13-8-6-12(7-9-13)11(2)3/h6-11H,4-5H2,1-3H3,(H2,17,18,19,20)
InChIKeyPVJWDJKRIFYEAW-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.74
Rot. Bonds5

About 4-propan-2-yl-N-(5-propyl-1H-pyrazol-3-yl)benzamide

4-propan-2-yl-N-(5-propyl-1H-pyrazol-3-yl)benzamide (PubChem CID 115619793) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-propan-2-yl-N-(5-propyl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name4-propan-2-yl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
PubChem CID115619793
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name4-propan-2-yl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
SMILESCCCc1cc(NC(=O)c2ccc(C(C)C)cc2)n[nH]1
InChIInChI=1S/C16H21N3O/c1-4-5-14-10-15(19-18-14)17-16(20)13-8-6-12(7-9-13)11(2)3/h6-11H,4-5H2,1-3H3,(H2,17,18,19,20)
InChIKeyPVJWDJKRIFYEAW-UHFFFAOYSA-N
XLogP3.74
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(hydroxymethyl)-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 104619750
4-fluoro-3-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 115621244
2-oxo-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyridine-4-carboxamide
CID 113257565
3-methoxy-4-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 115619852
4-amino-3-methoxy-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 104783240
5-methyl-N-(5-propyl-1H-pyrazol-3-yl)furan-3-carboxamide
CID 114821897
3-methyl-N-(5-propyl-1H-pyrazol-3-yl)butanamide
CID 115619770
2-(aminomethyl)-N-(5-propyl-1H-pyrazol-3-yl)pyridine-4-carboxamide
CID 104618234
3-amino-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyrazole-5-carboxamide
CID 104616226
4-(imidazol-1-ylmethyl)-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 167828947
4-[(4-fluorophenyl)sulfamoyl]-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 166179203
3-bromo-5-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 104853008

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-(5-propyl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of 4-propan-2-yl-N-(5-propyl-1H-pyrazol-3-yl)benzamide (CID 115619793) is 4-propan-2-yl-N-(5-propyl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for 4-propan-2-yl-N-(5-propyl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for 4-propan-2-yl-N-(5-propyl-1H-pyrazol-3-yl)benzamide is CCCc1cc(NC(=O)c2ccc(C(C)C)cc2)n[nH]1.
What is the InChIKey of 4-propan-2-yl-N-(5-propyl-1H-pyrazol-3-yl)benzamide?
The InChIKey is PVJWDJKRIFYEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-4-5-14-10-15(19-18-14)17-16(20)13-8-6-12(7-9-13)11(2)3/h6-11H,4-5H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 4-propan-2-yl-N-(5-propyl-1H-pyrazol-3-yl)benzamide?
4-propan-2-yl-N-(5-propyl-1H-pyrazol-3-yl)benzamide has a molecular weight of 271.36 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-(5-propyl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 115619793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).