N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-(1H-pyrazol-4-yl)butanamide

C19H24FN3O2 — CID 91840959

IUPACN-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-(1H-pyrazol-4-yl)butanamide
SMILESO=C(CCCc1cn[nH]c1)NCC1(c2cccc(F)c2)CCOCC1
InChIInChI=1S/C19H24FN3O2/c20-17-5-2-4-16(11-17)19(7-9-25-10-8-19)14-21-18(24)6-1-3-15-12-22-23-13-15/h2,4-5,11-13H,1,3,6-10,14H2,(H,21,24)(H,22,23)
InChIKeyABKOXBPIUBDOCM-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.74
Rot. Bonds7

About N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-(1H-pyrazol-4-yl)butanamide

N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-(1H-pyrazol-4-yl)butanamide (PubChem CID 91840959) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-(1H-pyrazol-4-yl)butanamide.

Molecular Properties

Compound NameN-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-(1H-pyrazol-4-yl)butanamide
PubChem CID91840959
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC NameN-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-(1H-pyrazol-4-yl)butanamide
SMILESO=C(CCCc1cn[nH]c1)NCC1(c2cccc(F)c2)CCOCC1
InChIInChI=1S/C19H24FN3O2/c20-17-5-2-4-16(11-17)19(7-9-25-10-8-19)14-21-18(24)6-1-3-15-12-22-23-13-15/h2,4-5,11-13H,1,3,6-10,14H2,(H,21,24)(H,22,23)
InChIKeyABKOXBPIUBDOCM-UHFFFAOYSA-N
XLogP2.74
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-fluorophenyl)ethyl]-6-keto-N-[2-(1H-pyrazol-4-yl)ethyl]nipecotamide
CID 24794338
1-[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-4-(1H-pyrazol-4-yl)butan-1-one
CID 56879396
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine
CID 56819821
4-phenyl-N-(3-pyrazol-1-ylpropyl)oxane-4-carboxamide
CID 71691260
2-[5-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]-N-(tetrahydro-2H-pyran-4-ylmethyl)acetamide
CID 71704793
3-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide
CID 28309477
1-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]-3-(1H-pyrazol-4-yl)propan-1-one
CID 42565145
3-(2-fluorophenyl)-3-phenyl-N-[2-(1H-pyrazol-4-yl)ethyl]propanamide
CID 45195370
3-[2-(3-fluorophenyl)ethyl]-1-[3-(1H-pyrazol-4-yl)propanoyl]piperidine
CID 45198765
4-[3-(1H-pyrazol-4-yl)propanoyl]-2-[3-(trifluoromethyl)benzyl]morpholine
CID 45238895
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine;hydrochloride
CID 56819820
1-[4-(hydroxymethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one
CID 56858584

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-(1H-pyrazol-4-yl)butanamide?
The IUPAC name of N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-(1H-pyrazol-4-yl)butanamide (CID 91840959) is N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-(1H-pyrazol-4-yl)butanamide.
What is the SMILES notation for N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-(1H-pyrazol-4-yl)butanamide?
The canonical SMILES for N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-(1H-pyrazol-4-yl)butanamide is O=C(CCCc1cn[nH]c1)NCC1(c2cccc(F)c2)CCOCC1.
What is the InChIKey of N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-(1H-pyrazol-4-yl)butanamide?
The InChIKey is ABKOXBPIUBDOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O2/c20-17-5-2-4-16(11-17)19(7-9-25-10-8-19)14-21-18(24)6-1-3-15-12-22-23-13-15/h2,4-5,11-13H,1,3,6-10,14H2,(H,21,24)(H,22,23).
What are the key properties of N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-(1H-pyrazol-4-yl)butanamide?
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-(1H-pyrazol-4-yl)butanamide has a molecular weight of 345.42 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-(1H-pyrazol-4-yl)butanamide is sourced from PubChem (CID 91840959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).