N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-2-(oxolan-2-ylmethoxy)acetamide

C20H26FN3O3 — CID 86868379

IUPACN-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-2-(oxolan-2-ylmethoxy)acetamide
SMILESCN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)COCC1CCCO1
InChIInChI=1S/C20H26FN3O3/c1-24(20(25)14-26-13-18-8-4-10-27-18)9-3-7-17-12-19(23-22-17)15-5-2-6-16(21)11-15/h2,5-6,11-12,18H,3-4,7-10,13-14H2,1H3,(H,22,23)
InChIKeyWYZCTQPPKAATRG-UHFFFAOYSA-N
MW375.44 g/mol
LogP2.80
Rot. Bonds9

About N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-2-(oxolan-2-ylmethoxy)acetamide

N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-2-(oxolan-2-ylmethoxy)acetamide (PubChem CID 86868379) has the molecular formula C20H26FN3O3 and a molecular weight of 375.44 g/mol. Its IUPAC name is N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-2-(oxolan-2-ylmethoxy)acetamide.

Molecular Properties

Compound NameN-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-2-(oxolan-2-ylmethoxy)acetamide
PubChem CID86868379
Molecular FormulaC20H26FN3O3
Molecular Weight375.44 g/mol
Exact Mass375.20
IUPAC NameN-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-2-(oxolan-2-ylmethoxy)acetamide
SMILESCN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)COCC1CCCO1
InChIInChI=1S/C20H26FN3O3/c1-24(20(25)14-26-13-18-8-4-10-27-18)9-3-7-17-12-19(23-22-17)15-5-2-6-16(21)11-15/h2,5-6,11-12,18H,3-4,7-10,13-14H2,1H3,(H,22,23)
InChIKeyWYZCTQPPKAATRG-UHFFFAOYSA-N
XLogP2.80
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-4-(oxolan-2-ylmethoxy)benzamide
CID 55975800
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-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 87042710
N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-4-(methylamino)butanamide;hydrochloride
CID 119744579
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylacetamide
CID 55976698
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-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide
CID 55954623
N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylpiperidine-3-carboxamide
CID 119301819
3-ethoxy-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-4-methoxy-N-methylbenzamide
CID 55953206
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
2-(4-aminophenyl)-N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylacetamide
CID 119746046

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-2-(oxolan-2-ylmethoxy)acetamide?
The IUPAC name of N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-2-(oxolan-2-ylmethoxy)acetamide (CID 86868379) is N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-2-(oxolan-2-ylmethoxy)acetamide.
What is the SMILES notation for N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-2-(oxolan-2-ylmethoxy)acetamide?
The canonical SMILES for N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-2-(oxolan-2-ylmethoxy)acetamide is CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)COCC1CCCO1.
What is the InChIKey of N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-2-(oxolan-2-ylmethoxy)acetamide?
The InChIKey is WYZCTQPPKAATRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O3/c1-24(20(25)14-26-13-18-8-4-10-27-18)9-3-7-17-12-19(23-22-17)15-5-2-6-16(21)11-15/h2,5-6,11-12,18H,3-4,7-10,13-14H2,1H3,(H,22,23).
What are the key properties of N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-2-(oxolan-2-ylmethoxy)acetamide?
N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-2-(oxolan-2-ylmethoxy)acetamide has a molecular weight of 375.44 g/mol, XLogP of 2.80, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-2-(oxolan-2-ylmethoxy)acetamide is sourced from PubChem (CID 86868379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).