1-(difluoromethyl)-4-methylindazol-6-amine

C9H9F2N3 — CID 90308990

IUPAC1-(difluoromethyl)-4-methylindazol-6-amine
SMILESCc1cc(N)cc2c1cnn2C(F)F
InChIInChI=1S/C9H9F2N3/c1-5-2-6(12)3-8-7(5)4-13-14(8)9(10)11/h2-4,9H,12H2,1H3
InChIKeyWROJMLSCHRDFKW-UHFFFAOYSA-N
MW197.19 g/mol
LogP2.32
Rot. Bonds1

About 1-(difluoromethyl)-4-methylindazol-6-amine

1-(difluoromethyl)-4-methylindazol-6-amine (PubChem CID 90308990) has the molecular formula C9H9F2N3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 1-(difluoromethyl)-4-methylindazol-6-amine.

Molecular Properties

Compound Name1-(difluoromethyl)-4-methylindazol-6-amine
PubChem CID90308990
Molecular FormulaC9H9F2N3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name1-(difluoromethyl)-4-methylindazol-6-amine
SMILESCc1cc(N)cc2c1cnn2C(F)F
InChIInChI=1S/C9H9F2N3/c1-5-2-6(12)3-8-7(5)4-13-14(8)9(10)11/h2-4,9H,12H2,1H3
InChIKeyWROJMLSCHRDFKW-UHFFFAOYSA-N
XLogP2.32
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(difluoromethyl)-5-methylpyrazol-4-amine;hydrochloride
CID 90482906
4-bromo-1-(difluoromethyl)-6-iodoindazole
CID 171590316
1-(difluoromethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 154123352
5-methyl-1-(1,2,2-trifluoroethyl)pyrazol-4-amine
CID 175533893
4-methyl-1-propan-2-ylindazole
CID 139297350
4-chloro-1-(difluoromethyl)pyrazol-5-amine;hydrochloride
CID 163336292
1-(difluoromethyl)-6-ethylindazole
CID 146208795
1-(1-fluoroethyl)-4,5-dimethylpyrazole
CID 167589330
1-(difluoromethyl)-5-methyl-4-methylsulfonylpyrazole
CID 177135675
[1-(difluoromethyl)indazol-6-yl]methanol
CID 163230657
4-chloro-1-(difluoromethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
CID 164860378
trans-ethyl (1R,2R)-2-[1-(difluoromethyl)-6-[4-(trifluoromethyl)phenyl]indazol-4-yl]cyclopropane-1-carboxylate
CID 171590377

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-4-methylindazol-6-amine?
The IUPAC name of 1-(difluoromethyl)-4-methylindazol-6-amine (CID 90308990) is 1-(difluoromethyl)-4-methylindazol-6-amine.
What is the SMILES notation for 1-(difluoromethyl)-4-methylindazol-6-amine?
The canonical SMILES for 1-(difluoromethyl)-4-methylindazol-6-amine is Cc1cc(N)cc2c1cnn2C(F)F.
What is the InChIKey of 1-(difluoromethyl)-4-methylindazol-6-amine?
The InChIKey is WROJMLSCHRDFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N3/c1-5-2-6(12)3-8-7(5)4-13-14(8)9(10)11/h2-4,9H,12H2,1H3.
What are the key properties of 1-(difluoromethyl)-4-methylindazol-6-amine?
1-(difluoromethyl)-4-methylindazol-6-amine has a molecular weight of 197.19 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-4-methylindazol-6-amine is sourced from PubChem (CID 90308990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).