6-[(1S,2R)-2-propan-2-ylcyclopropyl]-1-(1,1,1-trifluoropropan-2-yl)indazole

C16H19F3N2 — CID 167340266

IUPAC6-[(1S,2R)-2-propan-2-ylcyclopropyl]-1-(1,1,1-trifluoropropan-2-yl)indazole
SMILESCC(C)[C@H]1C[C@@H]1c1ccc2cnn(C(C)C(F)(F)F)c2c1
InChIInChI=1S/C16H19F3N2/c1-9(2)13-7-14(13)11-4-5-12-8-20-21(15(12)6-11)10(3)16(17,18)19/h4-6,8-10,13-14H,7H2,1-3H3/t10?,13-,14-/m1/s1
InChIKeyNTOYTCHFTXEVAZ-WDEVSDKISA-N
MW296.34 g/mol
LogP4.92
Rot. Bonds3

About 6-[(1S,2R)-2-propan-2-ylcyclopropyl]-1-(1,1,1-trifluoropropan-2-yl)indazole

6-[(1S,2R)-2-propan-2-ylcyclopropyl]-1-(1,1,1-trifluoropropan-2-yl)indazole (PubChem CID 167340266) has the molecular formula C16H19F3N2 and a molecular weight of 296.34 g/mol. Its IUPAC name is 6-[(1S,2R)-2-propan-2-ylcyclopropyl]-1-(1,1,1-trifluoropropan-2-yl)indazole.

Molecular Properties

Compound Name6-[(1S,2R)-2-propan-2-ylcyclopropyl]-1-(1,1,1-trifluoropropan-2-yl)indazole
PubChem CID167340266
Molecular FormulaC16H19F3N2
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Name6-[(1S,2R)-2-propan-2-ylcyclopropyl]-1-(1,1,1-trifluoropropan-2-yl)indazole
SMILESCC(C)[C@H]1C[C@@H]1c1ccc2cnn(C(C)C(F)(F)F)c2c1
InChIInChI=1S/C16H19F3N2/c1-9(2)13-7-14(13)11-4-5-12-8-20-21(15(12)6-11)10(3)16(17,18)19/h4-6,8-10,13-14H,7H2,1-3H3/t10?,13-,14-/m1/s1
InChIKeyNTOYTCHFTXEVAZ-WDEVSDKISA-N
XLogP4.92
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-1H-indazole
CID 797066
(2S)-1-(6-fluoroindazol-1-yl)propan-2-amine
CID 9859429
1-Methyl-1H-indazole
CID 139456
1-methyl-1H-indazol-5-amine
CID 2768032
(S)-1-(5-Fluoro-1H-indazol-1-yl)propan-2-amine
CID 44452853
3-(1H-indazol-1-yl)propanenitrile
CID 3244150
1-(2,2-Difluoroethyl)-3-phenylindazole
CID 118568941
3-Phenyl-1-(2,2,2-trifluoroethyl)indazole
CID 118568942
4-p-Tolyl-7-trifluoromethyl-1,2-dihydro-3,9,9a-triaza-fluorene 9-oxide
CID 24979717
4-p-Tolyl-7-trifluoromethyl-1,2-dihydro-3,9,9a-triaza-fluorene
CID 25161740
[3-[4-(1H-indol-6-yl)-3-(trifluoromethyl)pyrazol-1-yl]cyclobutyl]methanamine
CID 156010569
2-Methyl-2H-indazole
CID 138364

Frequently Asked Questions

What is the IUPAC name of 6-[(1S,2R)-2-propan-2-ylcyclopropyl]-1-(1,1,1-trifluoropropan-2-yl)indazole?
The IUPAC name of 6-[(1S,2R)-2-propan-2-ylcyclopropyl]-1-(1,1,1-trifluoropropan-2-yl)indazole (CID 167340266) is 6-[(1S,2R)-2-propan-2-ylcyclopropyl]-1-(1,1,1-trifluoropropan-2-yl)indazole.
What is the SMILES notation for 6-[(1S,2R)-2-propan-2-ylcyclopropyl]-1-(1,1,1-trifluoropropan-2-yl)indazole?
The canonical SMILES for 6-[(1S,2R)-2-propan-2-ylcyclopropyl]-1-(1,1,1-trifluoropropan-2-yl)indazole is CC(C)[C@H]1C[C@@H]1c1ccc2cnn(C(C)C(F)(F)F)c2c1.
What is the InChIKey of 6-[(1S,2R)-2-propan-2-ylcyclopropyl]-1-(1,1,1-trifluoropropan-2-yl)indazole?
The InChIKey is NTOYTCHFTXEVAZ-WDEVSDKISA-N. The full InChI is InChI=1S/C16H19F3N2/c1-9(2)13-7-14(13)11-4-5-12-8-20-21(15(12)6-11)10(3)16(17,18)19/h4-6,8-10,13-14H,7H2,1-3H3/t10?,13-,14-/m1/s1.
What are the key properties of 6-[(1S,2R)-2-propan-2-ylcyclopropyl]-1-(1,1,1-trifluoropropan-2-yl)indazole?
6-[(1S,2R)-2-propan-2-ylcyclopropyl]-1-(1,1,1-trifluoropropan-2-yl)indazole has a molecular weight of 296.34 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S,2R)-2-propan-2-ylcyclopropyl]-1-(1,1,1-trifluoropropan-2-yl)indazole is sourced from PubChem (CID 167340266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).