3-methyl-1-[5-(1,1,1-trifluoropropan-2-yl)-3-pyridinyl]indazole

C16H14F3N3 — CID 144651992

IUPAC3-methyl-1-[5-(1,1,1-trifluoropropan-2-yl)-3-pyridinyl]indazole
SMILESCc1nn(-c2cncc(C(C)C(F)(F)F)c2)c2ccccc12
InChIInChI=1S/C16H14F3N3/c1-10(16(17,18)19)12-7-13(9-20-8-12)22-15-6-4-3-5-14(15)11(2)21-22/h3-10H,1-2H3
InChIKeyLPWYOOZWJFUOCN-UHFFFAOYSA-N
MW305.30 g/mol
LogP4.39
Rot. Bonds2

About 3-methyl-1-[5-(1,1,1-trifluoropropan-2-yl)-3-pyridinyl]indazole

3-methyl-1-[5-(1,1,1-trifluoropropan-2-yl)-3-pyridinyl]indazole (PubChem CID 144651992) has the molecular formula C16H14F3N3 and a molecular weight of 305.30 g/mol. Its IUPAC name is 3-methyl-1-[5-(1,1,1-trifluoropropan-2-yl)-3-pyridinyl]indazole.

Molecular Properties

Compound Name3-methyl-1-[5-(1,1,1-trifluoropropan-2-yl)-3-pyridinyl]indazole
PubChem CID144651992
Molecular FormulaC16H14F3N3
Molecular Weight305.30 g/mol
Exact Mass305.11
IUPAC Name3-methyl-1-[5-(1,1,1-trifluoropropan-2-yl)-3-pyridinyl]indazole
SMILESCc1nn(-c2cncc(C(C)C(F)(F)F)c2)c2ccccc12
InChIInChI=1S/C16H14F3N3/c1-10(16(17,18)19)12-7-13(9-20-8-12)22-15-6-4-3-5-14(15)11(2)21-22/h3-10H,1-2H3
InChIKeyLPWYOOZWJFUOCN-UHFFFAOYSA-N
XLogP4.39
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-[3-(trifluoromethyl)indazol-1-yl]-3-pyridinyl]propan-2-ol
CID 90252957
4-(3-methylindazol-1-yl)isoquinoline
CID 118496552
3-(3-methylindazol-1-yl)benzaldehyde
CID 105497706
1-(3-methylindazol-1-yl)ethanethiol
CID 155129214
4-methyl-6-(3-methylindazol-1-yl)-N-pyridin-3-ylquinazolin-2-amine
CID 58329352
methyl-(3-methylindazol-1-yl)tin
CID 141033519
6-bromo-3-methyl-1-phenylindazole
CID 67449853
3-methyl-1-phenylindazol-5-ol
CID 105481865
1-(1,2-dihydropyridin-4-yl)-3-methylindazole
CID 167447499
8,8,14,14-tetramethyl-4,18-bis(3-methylindazol-1-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
CID 118047929
3-iodo-1-(5-nitro-3-pyridinyl)indazole
CID 167447455
1,3-bis[3-(trifluoromethyl)phenyl]indazole
CID 21044944

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[5-(1,1,1-trifluoropropan-2-yl)-3-pyridinyl]indazole?
The IUPAC name of 3-methyl-1-[5-(1,1,1-trifluoropropan-2-yl)-3-pyridinyl]indazole (CID 144651992) is 3-methyl-1-[5-(1,1,1-trifluoropropan-2-yl)-3-pyridinyl]indazole.
What is the SMILES notation for 3-methyl-1-[5-(1,1,1-trifluoropropan-2-yl)-3-pyridinyl]indazole?
The canonical SMILES for 3-methyl-1-[5-(1,1,1-trifluoropropan-2-yl)-3-pyridinyl]indazole is Cc1nn(-c2cncc(C(C)C(F)(F)F)c2)c2ccccc12.
What is the InChIKey of 3-methyl-1-[5-(1,1,1-trifluoropropan-2-yl)-3-pyridinyl]indazole?
The InChIKey is LPWYOOZWJFUOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3/c1-10(16(17,18)19)12-7-13(9-20-8-12)22-15-6-4-3-5-14(15)11(2)21-22/h3-10H,1-2H3.
What are the key properties of 3-methyl-1-[5-(1,1,1-trifluoropropan-2-yl)-3-pyridinyl]indazole?
3-methyl-1-[5-(1,1,1-trifluoropropan-2-yl)-3-pyridinyl]indazole has a molecular weight of 305.30 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[5-(1,1,1-trifluoropropan-2-yl)-3-pyridinyl]indazole is sourced from PubChem (CID 144651992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).