N-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-methoxy-1-methylpyrazole-4-carboxamide

C15H16F3N3O3 — CID 95368159

IUPACN-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-methoxy-1-methylpyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)NC[C@H](O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H16F3N3O3/c1-21-8-11(14(20-21)24-2)13(23)19-7-12(22)9-3-5-10(6-4-9)15(16,17)18/h3-6,8,12,22H,7H2,1-2H3,(H,19,23)/t12-/m0/s1
InChIKeyWDBBONYTJCJYNO-LBPRGKRZSA-N
MW343.31 g/mol
LogP1.91
Rot. Bonds5

About N-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-methoxy-1-methylpyrazole-4-carboxamide

N-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-methoxy-1-methylpyrazole-4-carboxamide (PubChem CID 95368159) has the molecular formula C15H16F3N3O3 and a molecular weight of 343.31 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-methoxy-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-methoxy-1-methylpyrazole-4-carboxamide
PubChem CID95368159
Molecular FormulaC15H16F3N3O3
Molecular Weight343.31 g/mol
Exact Mass343.11
IUPAC NameN-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-methoxy-1-methylpyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)NC[C@H](O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H16F3N3O3/c1-21-8-11(14(20-21)24-2)13(23)19-7-12(22)9-3-5-10(6-4-9)15(16,17)18/h3-6,8,12,22H,7H2,1-2H3,(H,19,23)/t12-/m0/s1
InChIKeyWDBBONYTJCJYNO-LBPRGKRZSA-N
XLogP1.91
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-methoxy-1-methylpyrazole-4-carboxamide (CID 95368159) is N-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-methoxy-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-methoxy-1-methylpyrazole-4-carboxamide is COc1nn(C)cc1C(=O)NC[C@H](O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The InChIKey is WDBBONYTJCJYNO-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H16F3N3O3/c1-21-8-11(14(20-21)24-2)13(23)19-7-12(22)9-3-5-10(6-4-9)15(16,17)18/h3-6,8,12,22H,7H2,1-2H3,(H,19,23)/t12-/m0/s1.
What are the key properties of N-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
N-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-methoxy-1-methylpyrazole-4-carboxamide has a molecular weight of 343.31 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-methoxy-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 95368159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).