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

C16H14F3N3O — CID 59514297

IUPAC1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]indazol-5-amine
SMILESCn1ncc2cc(NCc3ccc(OC(F)(F)F)cc3)ccc21
InChIInChI=1S/C16H14F3N3O/c1-22-15-7-4-13(8-12(15)10-21-22)20-9-11-2-5-14(6-3-11)23-16(17,18)19/h2-8,10,20H,9H2,1H3
InChIKeyJDNSMDMISFLMOQ-UHFFFAOYSA-N
MW321.30 g/mol
LogP4.08
Rot. Bonds4

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

1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]indazol-5-amine (PubChem CID 59514297) has the molecular formula C16H14F3N3O and a molecular weight of 321.30 g/mol. Its IUPAC name is 1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]indazol-5-amine.

Molecular Properties

Compound Name1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]indazol-5-amine
PubChem CID59514297
Molecular FormulaC16H14F3N3O
Molecular Weight321.30 g/mol
Exact Mass321.11
IUPAC Name1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]indazol-5-amine
SMILESCn1ncc2cc(NCc3ccc(OC(F)(F)F)cc3)ccc21
InChIInChI=1S/C16H14F3N3O/c1-22-15-7-4-13(8-12(15)10-21-22)20-9-11-2-5-14(6-3-11)23-16(17,18)19/h2-8,10,20H,9H2,1H3
InChIKeyJDNSMDMISFLMOQ-UHFFFAOYSA-N
XLogP4.08
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.30
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-1H-indazol-4-yl-1-{[4-(trifluoromethoxy)phenyl]methyl}urea
CID 11382514
3-(1-methyl-1H-indazol-4-yl)-1-{[4-(trifluoromethoxy)phenyl]methyl}urea
CID 11405844
(S)-2-(6-methoxyindazol-1-yl)-1-methylethylamine
CID 11708275
N-(1-(4-methoxybenzyl)piperidin-3-yl)-1H-indazol-5-amine
CID 21098519
1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)-4-(4-(trifluoromethoxy)phenyl)pyridin-2(1H)-one
CID 25205320
1-(1H-indazol-5-yl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 70691934
4-(4-Methoxy-phenyl)-7-trifluoromethyl-1,2-dihydro-3,9,9a-triaza-fluorene 9-oxide
CID 24979617
4-(4-Methoxy-phenyl)-1,2-dihydro-3,9,9a-triaza-fluorene
CID 25161741
1-(4-Phenoxy-benzyl)-3-[1-(2-pyrrolidin-1-yl-ethyl)-1H-indazol-5-yl]-urea
CID 44402549
1-(4-methoxyphenyl)-N-[(4-propan-2-ylphenyl)methyl]indazol-5-amine
CID 71520878
2-(1H-indazol-1-yl)-N-(4-propoxybenzyl)acetamide
CID 6620230
5-[1-[(4-Methoxyphenyl)methyl]indazol-6-yl]-1-methyl-3-(methylamino)pyridin-2-one
CID 155545496

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]indazol-5-amine?
The IUPAC name of 1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]indazol-5-amine (CID 59514297) is 1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]indazol-5-amine.
What is the SMILES notation for 1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]indazol-5-amine?
The canonical SMILES for 1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]indazol-5-amine is Cn1ncc2cc(NCc3ccc(OC(F)(F)F)cc3)ccc21.
What is the InChIKey of 1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]indazol-5-amine?
The InChIKey is JDNSMDMISFLMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O/c1-22-15-7-4-13(8-12(15)10-21-22)20-9-11-2-5-14(6-3-11)23-16(17,18)19/h2-8,10,20H,9H2,1H3.
What are the key properties of 1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]indazol-5-amine?
1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]indazol-5-amine has a molecular weight of 321.30 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]indazol-5-amine is sourced from PubChem (CID 59514297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).