N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-4-(methylamino)butanamide;hydrochloride

C18H26ClFN4O — CID 119744579

IUPACN-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)N(C)CCCc1cc(-c2cccc(F)c2)n[nH]1.Cl
InChIInChI=1S/C18H25FN4O.ClH/c1-20-10-4-9-18(24)23(2)11-5-8-16-13-17(22-21-16)14-6-3-7-15(19)12-14;/h3,6-7,12-13,20H,4-5,8-11H2,1-2H3,(H,21,22);1H
InChIKeyYKIJHYSSZHEZIW-UHFFFAOYSA-N
MW368.88 g/mol
LogP3.03
Rot. Bonds9

About N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-4-(methylamino)butanamide;hydrochloride

N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-4-(methylamino)butanamide;hydrochloride (PubChem CID 119744579) has the molecular formula C18H26ClFN4O and a molecular weight of 368.88 g/mol. Its IUPAC name is N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-4-(methylamino)butanamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-4-(methylamino)butanamide;hydrochloride
PubChem CID119744579
Molecular FormulaC18H26ClFN4O
Molecular Weight368.88 g/mol
Exact Mass368.18
IUPAC NameN-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)N(C)CCCc1cc(-c2cccc(F)c2)n[nH]1.Cl
InChIInChI=1S/C18H25FN4O.ClH/c1-20-10-4-9-18(24)23(2)11-5-8-16-13-17(22-21-16)14-6-3-7-15(19)12-14;/h3,6-7,12-13,20H,4-5,8-11H2,1-2H3,(H,21,22);1H
InChIKeyYKIJHYSSZHEZIW-UHFFFAOYSA-N
XLogP3.03
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.88
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylcarbamoyl]amino]butanoic acid
CID 122021510
N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 55953725
N-(4-fluorophenyl)-2-[2-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-2-oxoethyl]sulfanylacetamide
CID 55954871
3-bromo-N-[2-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-2-oxoethyl]benzamide
CID 55953212
N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylthiophene-2-carboxamide
CID 87042708
3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylpropanamide
CID 55954378
N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-2-pyrrolidin-2-ylacetamide
CID 119744612
N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide
CID 55954623
2-(4-aminophenyl)-N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylacetamide
CID 119746046
(2S)-2-amino-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N,4-dimethylpentanamide
CID 119744618
N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-2-(1H-indol-3-yl)-N-methylacetamide
CID 55975546
3-[(2R)-1-(diethylamino)propan-2-yl]-1-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-1-methylurea
CID 52511917

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-4-(methylamino)butanamide;hydrochloride?
The IUPAC name of N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-4-(methylamino)butanamide;hydrochloride (CID 119744579) is N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-4-(methylamino)butanamide;hydrochloride.
What is the SMILES notation for N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-4-(methylamino)butanamide;hydrochloride?
The canonical SMILES for N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-4-(methylamino)butanamide;hydrochloride is CNCCCC(=O)N(C)CCCc1cc(-c2cccc(F)c2)n[nH]1.Cl.
What is the InChIKey of N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-4-(methylamino)butanamide;hydrochloride?
The InChIKey is YKIJHYSSZHEZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4O.ClH/c1-20-10-4-9-18(24)23(2)11-5-8-16-13-17(22-21-16)14-6-3-7-15(19)12-14;/h3,6-7,12-13,20H,4-5,8-11H2,1-2H3,(H,21,22);1H.
What are the key properties of N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-4-(methylamino)butanamide;hydrochloride?
N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-4-(methylamino)butanamide;hydrochloride has a molecular weight of 368.88 g/mol, XLogP of 3.03, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-4-(methylamino)butanamide;hydrochloride is sourced from PubChem (CID 119744579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).