(2R)-N-[4-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]oxolane-2-carboxamide

C10H11BrF3N3O2 — CID 126837045

IUPAC(2R)-N-[4-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]oxolane-2-carboxamide
SMILESO=C(Nc1nn(CC(F)(F)F)cc1Br)[C@H]1CCCO1
InChIInChI=1S/C10H11BrF3N3O2/c11-6-4-17(5-10(12,13)14)16-8(6)15-9(18)7-2-1-3-19-7/h4,7H,1-3,5H2,(H,15,16,18)/t7-/m1/s1
InChIKeyVABLMQIKTAQGSO-SSDOTTSWSA-N
MW342.12 g/mol
LogP2.33
Rot. Bonds3

About (2R)-N-[4-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]oxolane-2-carboxamide

(2R)-N-[4-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]oxolane-2-carboxamide (PubChem CID 126837045) has the molecular formula C10H11BrF3N3O2 and a molecular weight of 342.12 g/mol. Its IUPAC name is (2R)-N-[4-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[4-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]oxolane-2-carboxamide
PubChem CID126837045
Molecular FormulaC10H11BrF3N3O2
Molecular Weight342.12 g/mol
Exact Mass341.00
IUPAC Name(2R)-N-[4-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]oxolane-2-carboxamide
SMILESO=C(Nc1nn(CC(F)(F)F)cc1Br)[C@H]1CCCO1
InChIInChI=1S/C10H11BrF3N3O2/c11-6-4-17(5-10(12,13)14)16-8(6)15-9(18)7-2-1-3-19-7/h4,7H,1-3,5H2,(H,15,16,18)/t7-/m1/s1
InChIKeyVABLMQIKTAQGSO-SSDOTTSWSA-N
XLogP2.33
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.12
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]oxolane-2-carboxamide
CID 120795924
N-[4-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-2-propan-2-yloxyacetamide
CID 126819001
N-[4-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]oxolane-2-carboxamide
CID 126834940
N-[4-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-2-methoxy-2-methylpropanamide
CID 126834941
(2R)-N-(1-butyl-4-methyl-1H-pyrazol-5-yl)tetrahydrofuran-2-carboxamide
CID 50983473
N-(1-methyl-1H-pyrazol-3-yl)oxolane-2-carboxamide
CID 45352996
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-methyloxolane-2-carboxamide
CID 104592673
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-5-methyloxolane-2-carboxamide
CID 104592718
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]oxolane-2-carboxamide
CID 104592788
N-(2-methylpyrazol-3-yl)oxolane-2-carboxamide
CID 108459401
N-[1-(cyanomethyl)pyrazol-3-yl]oxolane-2-carboxamide
CID 110281555
N-(4-cyano-1-methylpyrazol-3-yl)oxolane-2-carboxamide
CID 112696239

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]oxolane-2-carboxamide?
The IUPAC name of (2R)-N-[4-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]oxolane-2-carboxamide (CID 126837045) is (2R)-N-[4-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[4-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[4-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]oxolane-2-carboxamide is O=C(Nc1nn(CC(F)(F)F)cc1Br)[C@H]1CCCO1.
What is the InChIKey of (2R)-N-[4-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]oxolane-2-carboxamide?
The InChIKey is VABLMQIKTAQGSO-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H11BrF3N3O2/c11-6-4-17(5-10(12,13)14)16-8(6)15-9(18)7-2-1-3-19-7/h4,7H,1-3,5H2,(H,15,16,18)/t7-/m1/s1.
What are the key properties of (2R)-N-[4-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]oxolane-2-carboxamide?
(2R)-N-[4-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]oxolane-2-carboxamide has a molecular weight of 342.12 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]oxolane-2-carboxamide is sourced from PubChem (CID 126837045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).