N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-(pentanoylamino)benzamide

C19H26N4O2 — CID 50958341

IUPACN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-(pentanoylamino)benzamide
SMILESCCCCC(=O)Nc1ccc(C(=O)NCCc2c(C)n[nH]c2C)cc1
InChIInChI=1S/C19H26N4O2/c1-4-5-6-18(24)21-16-9-7-15(8-10-16)19(25)20-12-11-17-13(2)22-23-14(17)3/h7-10H,4-6,11-12H2,1-3H3,(H,20,25)(H,21,24)(H,22,23)
InChIKeyJROVVIKMDSAYJO-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.13
Rot. Bonds8

About N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-(pentanoylamino)benzamide

N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-(pentanoylamino)benzamide (PubChem CID 50958341) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-(pentanoylamino)benzamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-(pentanoylamino)benzamide
PubChem CID50958341
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-(pentanoylamino)benzamide
SMILESCCCCC(=O)Nc1ccc(C(=O)NCCc2c(C)n[nH]c2C)cc1
InChIInChI=1S/C19H26N4O2/c1-4-5-6-18(24)21-16-9-7-15(8-10-16)19(25)20-12-11-17-13(2)22-23-14(17)3/h7-10H,4-6,11-12H2,1-3H3,(H,20,25)(H,21,24)(H,22,23)
InChIKeyJROVVIKMDSAYJO-UHFFFAOYSA-N
XLogP3.13
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-(pentanoylamino)benzamide 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

4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoylamino]-N-methylbenzamide
CID 17437803
N,N'-bis[4-(butylcarbamoyl)phenyl]hexanediamide
CID 17195940
4-(hexanoylamino)-N-propylbenzamide
CID 17218821
N,N'-bis[4-(propylcarbamoyl)phenyl]hexanediamide
CID 17219362
4-(decanoylamino)-N-nonylbenzamide
CID 3464563
N,N'-bis[4-(butylcarbamoyl)phenyl]pentanediamide
CID 17195941
N,N'-bis[4-(propylcarbamoyl)phenyl]pentanediamide
CID 17219363
N-(4-methylphenyl)-4-(pentanoylamino)benzamide
CID 4630697
4-(butanoylamino)-N-hexylbenzamide
CID 3934901
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4-propan-2-ylphenyl)propanamide
CID 110685607
N-[4-[[[6-oxo-6-[2-[4-(pentanoylamino)benzoyl]hydrazinyl]hexanoyl]amino]carbamoyl]phenyl]pentanamide
CID 4926555
N-[4-[(hexanoylamino)carbamoyl]phenyl]pentanamide
CID 4953980

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-(pentanoylamino)benzamide?
The IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-(pentanoylamino)benzamide (CID 50958341) is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-(pentanoylamino)benzamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-(pentanoylamino)benzamide?
The canonical SMILES for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-(pentanoylamino)benzamide is CCCCC(=O)Nc1ccc(C(=O)NCCc2c(C)n[nH]c2C)cc1.
What is the InChIKey of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-(pentanoylamino)benzamide?
The InChIKey is JROVVIKMDSAYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-4-5-6-18(24)21-16-9-7-15(8-10-16)19(25)20-12-11-17-13(2)22-23-14(17)3/h7-10H,4-6,11-12H2,1-3H3,(H,20,25)(H,21,24)(H,22,23).
What are the key properties of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-(pentanoylamino)benzamide?
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-(pentanoylamino)benzamide has a molecular weight of 342.44 g/mol, XLogP of 3.13, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-(pentanoylamino)benzamide is sourced from PubChem (CID 50958341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).