N-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl]pentanamide

C18H25N3O — CID 110717337

IUPACN-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl]pentanamide
SMILESCCCCC(=O)NCCc1c(C)nn(-c2ccccc2)c1C
InChIInChI=1S/C18H25N3O/c1-4-5-11-18(22)19-13-12-17-14(2)20-21(15(17)3)16-9-7-6-8-10-16/h6-10H,4-5,11-13H2,1-3H3,(H,19,22)
InChIKeyGOLBGKYIJFWSJG-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.34
Rot. Bonds7

About N-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl]pentanamide

N-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl]pentanamide (PubChem CID 110717337) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl]pentanamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl]pentanamide
PubChem CID110717337
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC NameN-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl]pentanamide
SMILESCCCCC(=O)NCCc1c(C)nn(-c2ccccc2)c1C
InChIInChI=1S/C18H25N3O/c1-4-5-11-18(22)19-13-12-17-14(2)20-21(15(17)3)16-9-7-6-8-10-16/h6-10H,4-5,11-13H2,1-3H3,(H,19,22)
InChIKeyGOLBGKYIJFWSJG-UHFFFAOYSA-N
XLogP3.34
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl]pentanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pentanamide
CID 86930102
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanoic acid
CID 783981
[2-oxo-2-(propylamino)ethyl] 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate
CID 8629414
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-phenoxybutanamide
CID 46653199
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-ethylpropan-1-amine
CID 79220500
N-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl]cyclobutanecarboxamide
CID 110717356
N-[(4-chlorophenyl)methyl]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 40722802
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-methoxypropanamide
CID 35760836
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-oxo-4-phenylbutanamide
CID 134013965
1-cyclopentyl-3-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl]urea
CID 110747761
[2-(butylamino)-2-oxoethyl] (E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoate
CID 40629704
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylhexanamide
CID 60521825

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl]pentanamide?
The IUPAC name of N-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl]pentanamide (CID 110717337) is N-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl]pentanamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl]pentanamide?
The canonical SMILES for N-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl]pentanamide is CCCCC(=O)NCCc1c(C)nn(-c2ccccc2)c1C.
What is the InChIKey of N-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl]pentanamide?
The InChIKey is GOLBGKYIJFWSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-4-5-11-18(22)19-13-12-17-14(2)20-21(15(17)3)16-9-7-6-8-10-16/h6-10H,4-5,11-13H2,1-3H3,(H,19,22).
What are the key properties of N-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl]pentanamide?
N-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl]pentanamide has a molecular weight of 299.42 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl]pentanamide is sourced from PubChem (CID 110717337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).