5-[5-[(1R,5S)-3-(dimethylamino)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine

C20H26F3N5 — CID 118161773

IUPAC5-[5-[(1R,5S)-3-(dimethylamino)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1C1[C@H]2CC(N(C)C)C[C@@H]12
InChIInChI=1S/C20H26F3N5/c1-10(2)28-17(18-13-6-12(27(3)4)7-14(13)18)8-16(26-28)11-5-15(20(21,22)23)19(24)25-9-11/h5,8-10,12-14,18H,6-7H2,1-4H3,(H2,24,25)/t12?,13-,14+,18?
InChIKeyOUUQJKFHOHQTER-MBIJGJCISA-N
MW393.46 g/mol
LogP4.18
Rot. Bonds4

About 5-[5-[(1R,5S)-3-(dimethylamino)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine

5-[5-[(1R,5S)-3-(dimethylamino)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 118161773) has the molecular formula C20H26F3N5 and a molecular weight of 393.46 g/mol. Its IUPAC name is 5-[5-[(1R,5S)-3-(dimethylamino)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[5-[(1R,5S)-3-(dimethylamino)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
PubChem CID118161773
Molecular FormulaC20H26F3N5
Molecular Weight393.46 g/mol
Exact Mass393.21
IUPAC Name5-[5-[(1R,5S)-3-(dimethylamino)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1C1[C@H]2CC(N(C)C)C[C@@H]12
InChIInChI=1S/C20H26F3N5/c1-10(2)28-17(18-13-6-12(27(3)4)7-14(13)18)8-16(26-28)11-5-15(20(21,22)23)19(24)25-9-11/h5,8-10,12-14,18H,6-7H2,1-4H3,(H2,24,25)/t12?,13-,14+,18?
InChIKeyOUUQJKFHOHQTER-MBIJGJCISA-N
XLogP4.18
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[(1R,5S)-3-(dimethylamino)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-[5-[(1R,5S)-3-(dimethylamino)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine (CID 118161773) is 5-[5-[(1R,5S)-3-(dimethylamino)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-[5-[(1R,5S)-3-(dimethylamino)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-[5-[(1R,5S)-3-(dimethylamino)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine is CC(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1C1[C@H]2CC(N(C)C)C[C@@H]12.
What is the InChIKey of 5-[5-[(1R,5S)-3-(dimethylamino)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is OUUQJKFHOHQTER-MBIJGJCISA-N. The full InChI is InChI=1S/C20H26F3N5/c1-10(2)28-17(18-13-6-12(27(3)4)7-14(13)18)8-16(26-28)11-5-15(20(21,22)23)19(24)25-9-11/h5,8-10,12-14,18H,6-7H2,1-4H3,(H2,24,25)/t12?,13-,14+,18?.
What are the key properties of 5-[5-[(1R,5S)-3-(dimethylamino)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine?
5-[5-[(1R,5S)-3-(dimethylamino)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 393.46 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(1R,5S)-3-(dimethylamino)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 118161773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).