1-methyl-N-[2-[4-(trifluoromethyl)pyrazol-1-yl]ethylsulfanyl]indazol-7-amine

C14H14F3N5S — CID 177051836

IUPAC1-methyl-N-[2-[4-(trifluoromethyl)pyrazol-1-yl]ethylsulfanyl]indazol-7-amine
SMILESCn1ncc2cccc(NSCCn3cc(C(F)(F)F)cn3)c21
InChIInChI=1S/C14H14F3N5S/c1-21-13-10(7-18-21)3-2-4-12(13)20-23-6-5-22-9-11(8-19-22)14(15,16)17/h2-4,7-9,20H,5-6H2,1H3
InChIKeyVJZUFVWMVSNSDZ-UHFFFAOYSA-N
MW341.36 g/mol
LogP3.55
Rot. Bonds5

About 1-methyl-N-[2-[4-(trifluoromethyl)pyrazol-1-yl]ethylsulfanyl]indazol-7-amine

1-methyl-N-[2-[4-(trifluoromethyl)pyrazol-1-yl]ethylsulfanyl]indazol-7-amine (PubChem CID 177051836) has the molecular formula C14H14F3N5S and a molecular weight of 341.36 g/mol. Its IUPAC name is 1-methyl-N-[2-[4-(trifluoromethyl)pyrazol-1-yl]ethylsulfanyl]indazol-7-amine.

Molecular Properties

Compound Name1-methyl-N-[2-[4-(trifluoromethyl)pyrazol-1-yl]ethylsulfanyl]indazol-7-amine
PubChem CID177051836
Molecular FormulaC14H14F3N5S
Molecular Weight341.36 g/mol
Exact Mass341.09
IUPAC Name1-methyl-N-[2-[4-(trifluoromethyl)pyrazol-1-yl]ethylsulfanyl]indazol-7-amine
SMILESCn1ncc2cccc(NSCCn3cc(C(F)(F)F)cn3)c21
InChIInChI=1S/C14H14F3N5S/c1-21-13-10(7-18-21)3-2-4-12(13)20-23-6-5-22-9-11(8-19-22)14(15,16)17/h2-4,7-9,20H,5-6H2,1H3
InChIKeyVJZUFVWMVSNSDZ-UHFFFAOYSA-N
XLogP3.55
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(4-Propyl-1h-1,2,3-triazol-1-yl)-1h-indazole
CID 44186882
1-[(1-Methyltriazol-4-yl)methyl]-3-phenylindazole
CID 73504350
7-Amino-2-methyl-2H-indazole
CID 1480773
1-methyl-1H-indazol-7-amine
CID 18545442
N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-1,2-benzothiazol-5-amine
CID 164628686
US10071988, Example 99
CID 130309455
N-(1-methylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide
CID 170969141
N-(1-methylindazol-7-yl)-1-[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrazole-4-sulfonamide
CID 171918671
N-(1-methylindazol-7-yl)-1-[(3S)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrazole-4-sulfonamide
CID 171918672
2-methyl-2H-indazol-7-amine dihydrochloride
CID 165916314
1-benzyl-1H-indazol-7-ylamine
CID 67337594
3-(benzotriazol-1-yl)-N-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]propan-1-amine
CID 42096253

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-[4-(trifluoromethyl)pyrazol-1-yl]ethylsulfanyl]indazol-7-amine?
The IUPAC name of 1-methyl-N-[2-[4-(trifluoromethyl)pyrazol-1-yl]ethylsulfanyl]indazol-7-amine (CID 177051836) is 1-methyl-N-[2-[4-(trifluoromethyl)pyrazol-1-yl]ethylsulfanyl]indazol-7-amine.
What is the SMILES notation for 1-methyl-N-[2-[4-(trifluoromethyl)pyrazol-1-yl]ethylsulfanyl]indazol-7-amine?
The canonical SMILES for 1-methyl-N-[2-[4-(trifluoromethyl)pyrazol-1-yl]ethylsulfanyl]indazol-7-amine is Cn1ncc2cccc(NSCCn3cc(C(F)(F)F)cn3)c21.
What is the InChIKey of 1-methyl-N-[2-[4-(trifluoromethyl)pyrazol-1-yl]ethylsulfanyl]indazol-7-amine?
The InChIKey is VJZUFVWMVSNSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N5S/c1-21-13-10(7-18-21)3-2-4-12(13)20-23-6-5-22-9-11(8-19-22)14(15,16)17/h2-4,7-9,20H,5-6H2,1H3.
What are the key properties of 1-methyl-N-[2-[4-(trifluoromethyl)pyrazol-1-yl]ethylsulfanyl]indazol-7-amine?
1-methyl-N-[2-[4-(trifluoromethyl)pyrazol-1-yl]ethylsulfanyl]indazol-7-amine has a molecular weight of 341.36 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-[4-(trifluoromethyl)pyrazol-1-yl]ethylsulfanyl]indazol-7-amine is sourced from PubChem (CID 177051836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).