N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylhexanamide

C19H27N3O — CID 60521825

IUPACN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylhexanamide
SMILESCCCCCC(=O)N(C)Cc1c(C)nn(-c2ccccc2)c1C
InChIInChI=1S/C19H27N3O/c1-5-6-8-13-19(23)21(4)14-18-15(2)20-22(16(18)3)17-11-9-7-10-12-17/h7,9-12H,5-6,8,13-14H2,1-4H3
InChIKeyCUNMLUSWRNBWBN-UHFFFAOYSA-N
MW313.44 g/mol
LogP4.03
Rot. Bonds7

About N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylhexanamide

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylhexanamide (PubChem CID 60521825) has the molecular formula C19H27N3O and a molecular weight of 313.44 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylhexanamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylhexanamide
PubChem CID60521825
Molecular FormulaC19H27N3O
Molecular Weight313.44 g/mol
Exact Mass313.22
IUPAC NameN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylhexanamide
SMILESCCCCCC(=O)N(C)Cc1c(C)nn(-c2ccccc2)c1C
InChIInChI=1S/C19H27N3O/c1-5-6-8-13-19(23)21(4)14-18-15(2)20-22(16(18)3)17-11-9-7-10-12-17/h7,9-12H,5-6,8,13-14H2,1-4H3
InChIKeyCUNMLUSWRNBWBN-UHFFFAOYSA-N
XLogP4.03
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylhexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylhexanamide?
The IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylhexanamide (CID 60521825) is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylhexanamide.
What is the SMILES notation for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylhexanamide?
The canonical SMILES for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylhexanamide is CCCCCC(=O)N(C)Cc1c(C)nn(-c2ccccc2)c1C.
What is the InChIKey of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylhexanamide?
The InChIKey is CUNMLUSWRNBWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-5-6-8-13-19(23)21(4)14-18-15(2)20-22(16(18)3)17-11-9-7-10-12-17/h7,9-12H,5-6,8,13-14H2,1-4H3.
What are the key properties of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylhexanamide?
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylhexanamide has a molecular weight of 313.44 g/mol, XLogP of 4.03, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylhexanamide is sourced from PubChem (CID 60521825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).