N-(2-cyclohexylpyrazol-3-yl)-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxamide

C15H21F3N4O2 — CID 71980697

IUPACN-(2-cyclohexylpyrazol-3-yl)-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccnn1C1CCCCC1)N1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C15H21F3N4O2/c16-15(17,18)14(24)7-9-21(10-14)13(23)20-12-6-8-19-22(12)11-4-2-1-3-5-11/h6,8,11,24H,1-5,7,9-10H2,(H,20,23)
InChIKeyAPJJVWINHCVASQ-UHFFFAOYSA-N
MW346.35 g/mol
LogP2.92
Rot. Bonds2

About N-(2-cyclohexylpyrazol-3-yl)-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxamide

N-(2-cyclohexylpyrazol-3-yl)-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxamide (PubChem CID 71980697) has the molecular formula C15H21F3N4O2 and a molecular weight of 346.35 g/mol. Its IUPAC name is N-(2-cyclohexylpyrazol-3-yl)-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-cyclohexylpyrazol-3-yl)-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxamide
PubChem CID71980697
Molecular FormulaC15H21F3N4O2
Molecular Weight346.35 g/mol
Exact Mass346.16
IUPAC NameN-(2-cyclohexylpyrazol-3-yl)-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccnn1C1CCCCC1)N1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C15H21F3N4O2/c16-15(17,18)14(24)7-9-21(10-14)13(23)20-12-6-8-19-22(12)11-4-2-1-3-5-11/h6,8,11,24H,1-5,7,9-10H2,(H,20,23)
InChIKeyAPJJVWINHCVASQ-UHFFFAOYSA-N
XLogP2.92
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylpyrazol-3-yl)-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2-cyclohexylpyrazol-3-yl)-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxamide (CID 71980697) is N-(2-cyclohexylpyrazol-3-yl)-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2-cyclohexylpyrazol-3-yl)-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2-cyclohexylpyrazol-3-yl)-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxamide is O=C(Nc1ccnn1C1CCCCC1)N1CCC(O)(C(F)(F)F)C1.
What is the InChIKey of N-(2-cyclohexylpyrazol-3-yl)-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
The InChIKey is APJJVWINHCVASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N4O2/c16-15(17,18)14(24)7-9-21(10-14)13(23)20-12-6-8-19-22(12)11-4-2-1-3-5-11/h6,8,11,24H,1-5,7,9-10H2,(H,20,23).
What are the key properties of N-(2-cyclohexylpyrazol-3-yl)-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
N-(2-cyclohexylpyrazol-3-yl)-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxamide has a molecular weight of 346.35 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylpyrazol-3-yl)-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 71980697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).