2-amino-4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol

C12H18F3N3O — CID 134331594

IUPAC2-amino-4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol
SMILESCC(C)c1cc(C(F)(F)F)nn1C1CC(N)C(O)C1
InChIInChI=1S/C12H18F3N3O/c1-6(2)9-5-11(12(13,14)15)17-18(9)7-3-8(16)10(19)4-7/h5-8,10,19H,3-4,16H2,1-2H3
InChIKeyBKCUWMPLOJQLTQ-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.05
Rot. Bonds2

About 2-amino-4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol

2-amino-4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol (PubChem CID 134331594) has the molecular formula C12H18F3N3O and a molecular weight of 277.29 g/mol. Its IUPAC name is 2-amino-4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-amino-4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol
PubChem CID134331594
Molecular FormulaC12H18F3N3O
Molecular Weight277.29 g/mol
Exact Mass277.14
IUPAC Name2-amino-4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol
SMILESCC(C)c1cc(C(F)(F)F)nn1C1CC(N)C(O)C1
InChIInChI=1S/C12H18F3N3O/c1-6(2)9-5-11(12(13,14)15)17-18(9)7-3-8(16)10(19)4-7/h5-8,10,19H,3-4,16H2,1-2H3
InChIKeyBKCUWMPLOJQLTQ-UHFFFAOYSA-N
XLogP2.05
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1S,2S)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol
CID 164632416
3-[5-Methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol
CID 122633606
4-[5-Propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol
CID 134331554
4-[5-Ethyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1,2-diol
CID 134331572
4-[5-Propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1,2-diol
CID 134331573
3-[5-Propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-amine
CID 134331628
3-[5-Propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol
CID 134331678
2-Amino-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol
CID 138654945
(2R)-2-methyl-3-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]propan-1-ol
CID 168907502
2-Methyl-3-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]propan-1-ol
CID 168907508
(2S)-2-methyl-3-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]propan-1-ol
CID 168907563
2-Fluoro-3-(5-methyl-3-propan-2-ylpyrazol-1-yl)propan-1-ol
CID 178165917

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol?
The IUPAC name of 2-amino-4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol (CID 134331594) is 2-amino-4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol.
What is the SMILES notation for 2-amino-4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol?
The canonical SMILES for 2-amino-4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol is CC(C)c1cc(C(F)(F)F)nn1C1CC(N)C(O)C1.
What is the InChIKey of 2-amino-4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol?
The InChIKey is BKCUWMPLOJQLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O/c1-6(2)9-5-11(12(13,14)15)17-18(9)7-3-8(16)10(19)4-7/h5-8,10,19H,3-4,16H2,1-2H3.
What are the key properties of 2-amino-4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol?
2-amino-4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol has a molecular weight of 277.29 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol is sourced from PubChem (CID 134331594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).