1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]indazol-5-amine

C16H14F3N3 — CID 59514140

IUPAC1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]indazol-5-amine
SMILESCn1ncc2cc(NCc3ccc(C(F)(F)F)cc3)ccc21
InChIInChI=1S/C16H14F3N3/c1-22-15-7-6-14(8-12(15)10-21-22)20-9-11-2-4-13(5-3-11)16(17,18)19/h2-8,10,20H,9H2,1H3
InChIKeyYXODTGVPPFHSAX-UHFFFAOYSA-N
MW305.30 g/mol
LogP4.20
Rot. Bonds3

About 1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]indazol-5-amine

1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]indazol-5-amine (PubChem CID 59514140) has the molecular formula C16H14F3N3 and a molecular weight of 305.30 g/mol. Its IUPAC name is 1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]indazol-5-amine.

Molecular Properties

Compound Name1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]indazol-5-amine
PubChem CID59514140
Molecular FormulaC16H14F3N3
Molecular Weight305.30 g/mol
Exact Mass305.11
IUPAC Name1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]indazol-5-amine
SMILESCn1ncc2cc(NCc3ccc(C(F)(F)F)cc3)ccc21
InChIInChI=1S/C16H14F3N3/c1-22-15-7-6-14(8-12(15)10-21-22)20-9-11-2-4-13(5-3-11)16(17,18)19/h2-8,10,20H,9H2,1H3
InChIKeyYXODTGVPPFHSAX-UHFFFAOYSA-N
XLogP4.20
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]indazol-5-amine?
The IUPAC name of 1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]indazol-5-amine (CID 59514140) is 1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]indazol-5-amine.
What is the SMILES notation for 1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]indazol-5-amine?
The canonical SMILES for 1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]indazol-5-amine is Cn1ncc2cc(NCc3ccc(C(F)(F)F)cc3)ccc21.
What is the InChIKey of 1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]indazol-5-amine?
The InChIKey is YXODTGVPPFHSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3/c1-22-15-7-6-14(8-12(15)10-21-22)20-9-11-2-4-13(5-3-11)16(17,18)19/h2-8,10,20H,9H2,1H3.
What are the key properties of 1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]indazol-5-amine?
1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]indazol-5-amine has a molecular weight of 305.30 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]indazol-5-amine is sourced from PubChem (CID 59514140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).