1-methyl-N-[(3R)-oxan-3-yl]-3-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide

C15H22F3N3O2 — CID 97051800

IUPAC1-methyl-N-[(3R)-oxan-3-yl]-3-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)N(CC(F)(F)F)[C@@H]2CCCOC2)n(C)n1
InChIInChI=1S/C15H22F3N3O2/c1-10(2)12-7-13(20(3)19-12)14(22)21(9-15(16,17)18)11-5-4-6-23-8-11/h7,10-11H,4-6,8-9H2,1-3H3/t11-/m1/s1
InChIKeyHGLPCXSMMJZAIM-LLVKDONJSA-N
MW333.35 g/mol
LogP2.73
Rot. Bonds4

About 1-methyl-N-[(3R)-oxan-3-yl]-3-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide

1-methyl-N-[(3R)-oxan-3-yl]-3-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide (PubChem CID 97051800) has the molecular formula C15H22F3N3O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is 1-methyl-N-[(3R)-oxan-3-yl]-3-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(3R)-oxan-3-yl]-3-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
PubChem CID97051800
Molecular FormulaC15H22F3N3O2
Molecular Weight333.35 g/mol
Exact Mass333.17
IUPAC Name1-methyl-N-[(3R)-oxan-3-yl]-3-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)N(CC(F)(F)F)[C@@H]2CCCOC2)n(C)n1
InChIInChI=1S/C15H22F3N3O2/c1-10(2)12-7-13(20(3)19-12)14(22)21(9-15(16,17)18)11-5-4-6-23-8-11/h7,10-11H,4-6,8-9H2,1-3H3/t11-/m1/s1
InChIKeyHGLPCXSMMJZAIM-LLVKDONJSA-N
XLogP2.73
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(3R)-oxan-3-yl]-3-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[(3R)-oxan-3-yl]-3-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide (CID 97051800) is 1-methyl-N-[(3R)-oxan-3-yl]-3-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[(3R)-oxan-3-yl]-3-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[(3R)-oxan-3-yl]-3-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide is CC(C)c1cc(C(=O)N(CC(F)(F)F)[C@@H]2CCCOC2)n(C)n1.
What is the InChIKey of 1-methyl-N-[(3R)-oxan-3-yl]-3-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
The InChIKey is HGLPCXSMMJZAIM-LLVKDONJSA-N. The full InChI is InChI=1S/C15H22F3N3O2/c1-10(2)12-7-13(20(3)19-12)14(22)21(9-15(16,17)18)11-5-4-6-23-8-11/h7,10-11H,4-6,8-9H2,1-3H3/t11-/m1/s1.
What are the key properties of 1-methyl-N-[(3R)-oxan-3-yl]-3-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
1-methyl-N-[(3R)-oxan-3-yl]-3-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide has a molecular weight of 333.35 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(3R)-oxan-3-yl]-3-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 97051800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).