(2R)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]oxolane-2-carboxamide

C13H18F3N3O2 — CID 2225161

IUPAC(2R)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]oxolane-2-carboxamide
SMILESCc1cc(C(F)(F)F)nn1CCCNC(=O)[C@H]1CCCO1
InChIInChI=1S/C13H18F3N3O2/c1-9-8-11(13(14,15)16)18-19(9)6-3-5-17-12(20)10-4-2-7-21-10/h8,10H,2-7H2,1H3,(H,17,20)/t10-/m1/s1
InChIKeyQTBCHLDHZCUVGK-SNVBAGLBSA-N
MW305.30 g/mol
LogP1.90
Rot. Bonds5

About (2R)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]oxolane-2-carboxamide

(2R)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]oxolane-2-carboxamide (PubChem CID 2225161) has the molecular formula C13H18F3N3O2 and a molecular weight of 305.30 g/mol. Its IUPAC name is (2R)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]oxolane-2-carboxamide
PubChem CID2225161
Molecular FormulaC13H18F3N3O2
Molecular Weight305.30 g/mol
Exact Mass305.14
IUPAC Name(2R)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]oxolane-2-carboxamide
SMILESCc1cc(C(F)(F)F)nn1CCCNC(=O)[C@H]1CCCO1
InChIInChI=1S/C13H18F3N3O2/c1-9-8-11(13(14,15)16)18-19(9)6-3-5-17-12(20)10-4-2-7-21-10/h8,10H,2-7H2,1H3,(H,17,20)/t10-/m1/s1
InChIKeyQTBCHLDHZCUVGK-SNVBAGLBSA-N
XLogP1.90
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]oxolane-2-carboxamide?
The IUPAC name of (2R)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]oxolane-2-carboxamide (CID 2225161) is (2R)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]oxolane-2-carboxamide is Cc1cc(C(F)(F)F)nn1CCCNC(=O)[C@H]1CCCO1.
What is the InChIKey of (2R)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]oxolane-2-carboxamide?
The InChIKey is QTBCHLDHZCUVGK-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18F3N3O2/c1-9-8-11(13(14,15)16)18-19(9)6-3-5-17-12(20)10-4-2-7-21-10/h8,10H,2-7H2,1H3,(H,17,20)/t10-/m1/s1.
What are the key properties of (2R)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]oxolane-2-carboxamide?
(2R)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]oxolane-2-carboxamide has a molecular weight of 305.30 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]oxolane-2-carboxamide is sourced from PubChem (CID 2225161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).