N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-3-pyridin-3-ylpropanamide

C16H22N4O — CID 91790137

IUPACN-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-3-pyridin-3-ylpropanamide
SMILESCc1n[nH]c(C)c1CCCNC(=O)CCc1cccnc1
InChIInChI=1S/C16H22N4O/c1-12-15(13(2)20-19-12)6-4-10-18-16(21)8-7-14-5-3-9-17-11-14/h3,5,9,11H,4,6-8,10H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyYXPMDSBOMZSXFW-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.10
Rot. Bonds7

About N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-3-pyridin-3-ylpropanamide

N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-3-pyridin-3-ylpropanamide (PubChem CID 91790137) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-3-pyridin-3-ylpropanamide
PubChem CID91790137
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-3-pyridin-3-ylpropanamide
SMILESCc1n[nH]c(C)c1CCCNC(=O)CCc1cccnc1
InChIInChI=1S/C16H22N4O/c1-12-15(13(2)20-19-12)6-4-10-18-16(21)8-7-14-5-3-9-17-11-14/h3,5,9,11H,4,6-8,10H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyYXPMDSBOMZSXFW-UHFFFAOYSA-N
XLogP2.10
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-3-pyridin-3-ylpropanamide 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

3-(3,4-dimethylphenyl)-N-(3-pyridin-3-ylpropyl)propanamide
CID 91761122
N-butyl-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 110685526
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 110685562
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 91761757
(2S)-2-hydroxy-4-(3-pyridin-3-ylpropanoylamino)butanoic acid
CID 107834523
N-[3-(dimethylamino)propyl]-4-pyridin-3-ylbutanamide
CID 110408294
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-phenoxypropanamide
CID 110717126
N-(4-methoxybutyl)-4-pyridin-3-ylbutanamide
CID 110610244
N-(2-phenylethyl)-4-pyridin-3-ylbutanamide
CID 110410890
7-amino-N-(2-pyridin-3-ylethyl)heptanamide;dihydrochloride
CID 119842426
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(4-fluorophenyl)propanamide
CID 110731059
N-[3-(pyridin-3-ylmethylamino)propyl]octanamide
CID 43600563

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-3-pyridin-3-ylpropanamide?
The IUPAC name of N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-3-pyridin-3-ylpropanamide (CID 91790137) is N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-3-pyridin-3-ylpropanamide.
What is the SMILES notation for N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-3-pyridin-3-ylpropanamide?
The canonical SMILES for N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-3-pyridin-3-ylpropanamide is Cc1n[nH]c(C)c1CCCNC(=O)CCc1cccnc1.
What is the InChIKey of N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-3-pyridin-3-ylpropanamide?
The InChIKey is YXPMDSBOMZSXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-12-15(13(2)20-19-12)6-4-10-18-16(21)8-7-14-5-3-9-17-11-14/h3,5,9,11H,4,6-8,10H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-3-pyridin-3-ylpropanamide?
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-3-pyridin-3-ylpropanamide has a molecular weight of 286.38 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 91790137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).