1-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]cyclopentan-1-ol

C17H21F3N4O — CID 90286621

IUPAC1-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]cyclopentan-1-ol
SMILESCC(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1C1(O)CCCC1
InChIInChI=1S/C17H21F3N4O/c1-10(2)24-14(16(25)5-3-4-6-16)8-13(23-24)11-7-12(17(18,19)20)15(21)22-9-11/h7-10,25H,3-6H2,1-2H3,(H2,21,22)
InChIKeyFCAVUNZBVDKLMV-UHFFFAOYSA-N
MW354.38 g/mol
LogP3.89
Rot. Bonds3

About 1-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]cyclopentan-1-ol

1-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]cyclopentan-1-ol (PubChem CID 90286621) has the molecular formula C17H21F3N4O and a molecular weight of 354.38 g/mol. Its IUPAC name is 1-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]cyclopentan-1-ol
PubChem CID90286621
Molecular FormulaC17H21F3N4O
Molecular Weight354.38 g/mol
Exact Mass354.17
IUPAC Name1-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]cyclopentan-1-ol
SMILESCC(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1C1(O)CCCC1
InChIInChI=1S/C17H21F3N4O/c1-10(2)24-14(16(25)5-3-4-6-16)8-13(23-24)11-7-12(17(18,19)20)15(21)22-9-11/h7-10,25H,3-6H2,1-2H3,(H2,21,22)
InChIKeyFCAVUNZBVDKLMV-UHFFFAOYSA-N
XLogP3.89
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]cyclopentan-1-ol?
The IUPAC name of 1-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]cyclopentan-1-ol (CID 90286621) is 1-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]cyclopentan-1-ol.
What is the SMILES notation for 1-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]cyclopentan-1-ol?
The canonical SMILES for 1-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]cyclopentan-1-ol is CC(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1C1(O)CCCC1.
What is the InChIKey of 1-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]cyclopentan-1-ol?
The InChIKey is FCAVUNZBVDKLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N4O/c1-10(2)24-14(16(25)5-3-4-6-16)8-13(23-24)11-7-12(17(18,19)20)15(21)22-9-11/h7-10,25H,3-6H2,1-2H3,(H2,21,22).
What are the key properties of 1-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]cyclopentan-1-ol?
1-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]cyclopentan-1-ol has a molecular weight of 354.38 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]cyclopentan-1-ol is sourced from PubChem (CID 90286621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).