1-[3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-2-ol

C14H22F3N3O — CID 134331612

IUPAC1-[3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-2-ol
SMILESCC(O)CN1CCC(n2nc(C(F)(F)F)cc2C(C)C)C1
InChIInChI=1S/C14H22F3N3O/c1-9(2)12-6-13(14(15,16)17)18-20(12)11-4-5-19(8-11)7-10(3)21/h6,9-11,21H,4-5,7-8H2,1-3H3
InChIKeyJNBDTEZWPYICHI-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.65
Rot. Bonds4

About 1-[3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-2-ol

1-[3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-2-ol (PubChem CID 134331612) has the molecular formula C14H22F3N3O and a molecular weight of 305.34 g/mol. Its IUPAC name is 1-[3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-2-ol
PubChem CID134331612
Molecular FormulaC14H22F3N3O
Molecular Weight305.34 g/mol
Exact Mass305.17
IUPAC Name1-[3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-2-ol
SMILESCC(O)CN1CCC(n2nc(C(F)(F)F)cc2C(C)C)C1
InChIInChI=1S/C14H22F3N3O/c1-9(2)12-6-13(14(15,16)17)18-20(12)11-4-5-19(8-11)7-10(3)21/h6,9-11,21H,4-5,7-8H2,1-3H3
InChIKeyJNBDTEZWPYICHI-UHFFFAOYSA-N
XLogP2.65
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-2-ol with MolForge

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Related Compounds

1,3-Bis(3,5-ditert-butylpyrazol-1-yl)propan-2-ol
CID 68778773
N-ethyl-N-[(3-isobutyl-1-methyl-1H-pyrazol-5-yl)methyl]-2-methoxyethanamine
CID 50982267
trans-(1S,2S)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol
CID 164632416
2-[4-[5-Methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanol
CID 118149713
2-(5-isopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)ethan-1-ol
CID 121211723
2-Hydroxy-1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-1-one
CID 122633451
2-[3-[5-Methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanol
CID 122633509
1-[3-[5-Methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-2-ol
CID 122633557
1-(3,3-Difluorocyclopentyl)-3-methyl-5-[1-(oxetan-3-yl)azetidin-3-yl]pyrazole
CID 126489528
5-Tert-butyl-1-(2-methoxyethyl)-3-(trifluoromethyl)pyrazole
CID 129093251
1-[3-[5-Propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanone
CID 134331553
4-[5-Propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol
CID 134331554

Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-2-ol?
The IUPAC name of 1-[3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-2-ol (CID 134331612) is 1-[3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-2-ol.
What is the SMILES notation for 1-[3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-2-ol?
The canonical SMILES for 1-[3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-2-ol is CC(O)CN1CCC(n2nc(C(F)(F)F)cc2C(C)C)C1.
What is the InChIKey of 1-[3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-2-ol?
The InChIKey is JNBDTEZWPYICHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3O/c1-9(2)12-6-13(14(15,16)17)18-20(12)11-4-5-19(8-11)7-10(3)21/h6,9-11,21H,4-5,7-8H2,1-3H3.
What are the key properties of 1-[3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-2-ol?
1-[3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-2-ol has a molecular weight of 305.34 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-2-ol is sourced from PubChem (CID 134331612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).