(2S,5R)-N-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-5-methyloxolane-2-carboxamide

C16H18FN3O2 — CID 97330409

IUPAC(2S,5R)-N-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-5-methyloxolane-2-carboxamide
SMILESC[C@@H]1CC[C@@H](C(=O)NCc2ccn(-c3ccc(F)cc3)n2)O1
InChIInChI=1S/C16H18FN3O2/c1-11-2-7-15(22-11)16(21)18-10-13-8-9-20(19-13)14-5-3-12(17)4-6-14/h3-6,8-9,11,15H,2,7,10H2,1H3,(H,18,21)/t11-,15+/m1/s1
InChIKeyHUYLZQRRHONJAB-ABAIWWIYSA-N
MW303.34 g/mol
LogP2.20
Rot. Bonds4

About (2S,5R)-N-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-5-methyloxolane-2-carboxamide

(2S,5R)-N-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-5-methyloxolane-2-carboxamide (PubChem CID 97330409) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is (2S,5R)-N-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-5-methyloxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-N-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-5-methyloxolane-2-carboxamide
PubChem CID97330409
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC Name(2S,5R)-N-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-5-methyloxolane-2-carboxamide
SMILESC[C@@H]1CC[C@@H](C(=O)NCc2ccn(-c3ccc(F)cc3)n2)O1
InChIInChI=1S/C16H18FN3O2/c1-11-2-7-15(22-11)16(21)18-10-13-8-9-20(19-13)14-5-3-12(17)4-6-14/h3-6,8-9,11,15H,2,7,10H2,1H3,(H,18,21)/t11-,15+/m1/s1
InChIKeyHUYLZQRRHONJAB-ABAIWWIYSA-N
XLogP2.20
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-N-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-5-methyloxolane-2-carboxamide?
The IUPAC name of (2S,5R)-N-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-5-methyloxolane-2-carboxamide (CID 97330409) is (2S,5R)-N-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-5-methyloxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-N-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-5-methyloxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-N-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-5-methyloxolane-2-carboxamide is C[C@@H]1CC[C@@H](C(=O)NCc2ccn(-c3ccc(F)cc3)n2)O1.
What is the InChIKey of (2S,5R)-N-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-5-methyloxolane-2-carboxamide?
The InChIKey is HUYLZQRRHONJAB-ABAIWWIYSA-N. The full InChI is InChI=1S/C16H18FN3O2/c1-11-2-7-15(22-11)16(21)18-10-13-8-9-20(19-13)14-5-3-12(17)4-6-14/h3-6,8-9,11,15H,2,7,10H2,1H3,(H,18,21)/t11-,15+/m1/s1.
What are the key properties of (2S,5R)-N-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-5-methyloxolane-2-carboxamide?
(2S,5R)-N-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-5-methyloxolane-2-carboxamide has a molecular weight of 303.34 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-N-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]-5-methyloxolane-2-carboxamide is sourced from PubChem (CID 97330409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).