1-(2-fluorophenyl)-N-[(2S)-oxan-2-yl]oxypyrazole-3-carboxamide

C15H16FN3O3 — CID 95688442

IUPAC1-(2-fluorophenyl)-N-[(2S)-oxan-2-yl]oxypyrazole-3-carboxamide
SMILESO=C(NO[C@H]1CCCCO1)c1ccn(-c2ccccc2F)n1
InChIInChI=1S/C15H16FN3O3/c16-11-5-1-2-6-13(11)19-9-8-12(17-19)15(20)18-22-14-7-3-4-10-21-14/h1-2,5-6,8-9,14H,3-4,7,10H2,(H,18,20)/t14-/m0/s1
InChIKeyAWECXMAYPYKXJS-AWEZNQCLSA-N
MW305.31 g/mol
LogP2.20
Rot. Bonds4

About 1-(2-fluorophenyl)-N-[(2S)-oxan-2-yl]oxypyrazole-3-carboxamide

1-(2-fluorophenyl)-N-[(2S)-oxan-2-yl]oxypyrazole-3-carboxamide (PubChem CID 95688442) has the molecular formula C15H16FN3O3 and a molecular weight of 305.31 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[(2S)-oxan-2-yl]oxypyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[(2S)-oxan-2-yl]oxypyrazole-3-carboxamide
PubChem CID95688442
Molecular FormulaC15H16FN3O3
Molecular Weight305.31 g/mol
Exact Mass305.12
IUPAC Name1-(2-fluorophenyl)-N-[(2S)-oxan-2-yl]oxypyrazole-3-carboxamide
SMILESO=C(NO[C@H]1CCCCO1)c1ccn(-c2ccccc2F)n1
InChIInChI=1S/C15H16FN3O3/c16-11-5-1-2-6-13(11)19-9-8-12(17-19)15(20)18-22-14-7-3-4-10-21-14/h1-2,5-6,8-9,14H,3-4,7,10H2,(H,18,20)/t14-/m0/s1
InChIKeyAWECXMAYPYKXJS-AWEZNQCLSA-N
XLogP2.20
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-fluorophenyl)-N-(2-hydroxyethyl)pyrazole-3-carboxamide
CID 78869937
2-cyclopropyl-2-[[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]acetic acid
CID 119213154
2,4-difluoro-N-[(2R)-oxan-2-yl]oxybenzamide
CID 94817259
4-chloro-N-(oxan-2-yloxy)benzamide
CID 51103118
2-(2-chlorophenyl)-N-[(2R)-oxan-2-yl]oxy-1,3-thiazole-4-carboxamide
CID 95174222
4-chloro-2-fluoro-N-[(2S)-oxan-2-yl]oxybenzamide
CID 52828159
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide
CID 98774835
1-(2-fluorophenyl)-N'-(2-methylpropanoyl)pyrazole-3-carbohydrazide
CID 78863955
1-(2-fluorophenyl)-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]pyrazole-3-carboxamide
CID 55868469
N-(2,6-difluorophenyl)-N'-(oxan-2-yloxy)butanediamide
CID 126840011
2-(4-chlorobenzoyl)-N-[(2S)-oxan-2-yl]oxybenzamide
CID 52828045
2-[cyclopropyl-[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]acetic acid
CID 119194581

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[(2S)-oxan-2-yl]oxypyrazole-3-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[(2S)-oxan-2-yl]oxypyrazole-3-carboxamide (CID 95688442) is 1-(2-fluorophenyl)-N-[(2S)-oxan-2-yl]oxypyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[(2S)-oxan-2-yl]oxypyrazole-3-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[(2S)-oxan-2-yl]oxypyrazole-3-carboxamide is O=C(NO[C@H]1CCCCO1)c1ccn(-c2ccccc2F)n1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[(2S)-oxan-2-yl]oxypyrazole-3-carboxamide?
The InChIKey is AWECXMAYPYKXJS-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H16FN3O3/c16-11-5-1-2-6-13(11)19-9-8-12(17-19)15(20)18-22-14-7-3-4-10-21-14/h1-2,5-6,8-9,14H,3-4,7,10H2,(H,18,20)/t14-/m0/s1.
What are the key properties of 1-(2-fluorophenyl)-N-[(2S)-oxan-2-yl]oxypyrazole-3-carboxamide?
1-(2-fluorophenyl)-N-[(2S)-oxan-2-yl]oxypyrazole-3-carboxamide has a molecular weight of 305.31 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[(2S)-oxan-2-yl]oxypyrazole-3-carboxamide is sourced from PubChem (CID 95688442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).