N-butyl-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide

C12H21N3O — CID 110685526

IUPACN-butyl-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
SMILESCCCCNC(=O)CCc1c(C)n[nH]c1C
InChIInChI=1S/C12H21N3O/c1-4-5-8-13-12(16)7-6-11-9(2)14-15-10(11)3/h4-8H2,1-3H3,(H,13,16)(H,14,15)
InChIKeyXVONOLLDFUMXSJ-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.88
Rot. Bonds6

About N-butyl-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide

N-butyl-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide (PubChem CID 110685526) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-butyl-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-butyl-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
PubChem CID110685526
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-butyl-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
SMILESCCCCNC(=O)CCc1c(C)n[nH]c1C
InChIInChI=1S/C12H21N3O/c1-4-5-8-13-12(16)7-6-11-9(2)14-15-10(11)3/h4-8H2,1-3H3,(H,13,16)(H,14,15)
InChIKeyXVONOLLDFUMXSJ-UHFFFAOYSA-N
XLogP1.88
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-3-pyridin-3-ylpropanamide
CID 91790137
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 91761757
ethyl 4-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]butanoate
CID 60718057
N-[2-(2,4-dichlorophenyl)ethyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 110685590
3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid;hydrochloride
CID 47000616
(4S)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-morpholin-4-ylpentanamide
CID 124752605
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-(pentanoylamino)benzamide
CID 50958341
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 110685562
4-[[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoylamino]methyl]benzoic acid
CID 84613407
N-(2-cyclopentyl-2-hydroxyethyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 111426313
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-phenoxypropanamide
CID 110717126
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]propanamide
CID 97435127

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide?
The IUPAC name of N-butyl-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide (CID 110685526) is N-butyl-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide.
What is the SMILES notation for N-butyl-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide?
The canonical SMILES for N-butyl-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide is CCCCNC(=O)CCc1c(C)n[nH]c1C.
What is the InChIKey of N-butyl-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide?
The InChIKey is XVONOLLDFUMXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-4-5-8-13-12(16)7-6-11-9(2)14-15-10(11)3/h4-8H2,1-3H3,(H,13,16)(H,14,15).
What are the key properties of N-butyl-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide?
N-butyl-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide has a molecular weight of 223.32 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide is sourced from PubChem (CID 110685526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).