N-(3-methylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide

C15H19N3O — CID 20918323

IUPACN-(3-methylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCC(C)CCNC(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C15H19N3O/c1-11(2)8-9-16-15(19)14-10-13(17-18-14)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyOIAHVNQHSQNGCO-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.85
Rot. Bonds5

About N-(3-methylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide

N-(3-methylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 20918323) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-(3-methylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID20918323
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-(3-methylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCC(C)CCNC(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C15H19N3O/c1-11(2)8-9-16-15(19)14-10-13(17-18-14)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyOIAHVNQHSQNGCO-UHFFFAOYSA-N
XLogP2.85
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(3-methylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide (CID 20918323) is N-(3-methylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide is CC(C)CCNC(=O)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of N-(3-methylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is OIAHVNQHSQNGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11(2)8-9-16-15(19)14-10-13(17-18-14)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of N-(3-methylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide?
N-(3-methylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 257.34 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 20918323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).