N-methyl-1-[1-[4-(trifluoromethoxy)phenyl]indazol-3-yl]methanamine;hydrochloride

C16H15ClF3N3O — CID 174050428

IUPACN-methyl-1-[1-[4-(trifluoromethoxy)phenyl]indazol-3-yl]methanamine;hydrochloride
SMILESCNCc1nn(-c2ccc(OC(F)(F)F)cc2)c2ccccc12.Cl
InChIInChI=1S/C16H14F3N3O.ClH/c1-20-10-14-13-4-2-3-5-15(13)22(21-14)11-6-8-12(9-7-11)23-16(17,18)19;/h2-9,20H,10H2,1H3;1H
InChIKeyMKXNPKGCBMMDDG-UHFFFAOYSA-N
MW357.76 g/mol
LogP4.07
Rot. Bonds4

About N-methyl-1-[1-[4-(trifluoromethoxy)phenyl]indazol-3-yl]methanamine;hydrochloride

N-methyl-1-[1-[4-(trifluoromethoxy)phenyl]indazol-3-yl]methanamine;hydrochloride (PubChem CID 174050428) has the molecular formula C16H15ClF3N3O and a molecular weight of 357.76 g/mol. Its IUPAC name is N-methyl-1-[1-[4-(trifluoromethoxy)phenyl]indazol-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-[1-[4-(trifluoromethoxy)phenyl]indazol-3-yl]methanamine;hydrochloride
PubChem CID174050428
Molecular FormulaC16H15ClF3N3O
Molecular Weight357.76 g/mol
Exact Mass357.09
IUPAC NameN-methyl-1-[1-[4-(trifluoromethoxy)phenyl]indazol-3-yl]methanamine;hydrochloride
SMILESCNCc1nn(-c2ccc(OC(F)(F)F)cc2)c2ccccc12.Cl
InChIInChI=1S/C16H14F3N3O.ClH/c1-20-10-14-13-4-2-3-5-15(13)22(21-14)11-6-8-12(9-7-11)23-16(17,18)19;/h2-9,20H,10H2,1H3;1H
InChIKeyMKXNPKGCBMMDDG-UHFFFAOYSA-N
XLogP4.07
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.76
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[4-(trifluoromethoxy)phenyl]indazol-3-yl]methanamine;hydrochloride?
The IUPAC name of N-methyl-1-[1-[4-(trifluoromethoxy)phenyl]indazol-3-yl]methanamine;hydrochloride (CID 174050428) is N-methyl-1-[1-[4-(trifluoromethoxy)phenyl]indazol-3-yl]methanamine;hydrochloride.
What is the SMILES notation for N-methyl-1-[1-[4-(trifluoromethoxy)phenyl]indazol-3-yl]methanamine;hydrochloride?
The canonical SMILES for N-methyl-1-[1-[4-(trifluoromethoxy)phenyl]indazol-3-yl]methanamine;hydrochloride is CNCc1nn(-c2ccc(OC(F)(F)F)cc2)c2ccccc12.Cl.
What is the InChIKey of N-methyl-1-[1-[4-(trifluoromethoxy)phenyl]indazol-3-yl]methanamine;hydrochloride?
The InChIKey is MKXNPKGCBMMDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O.ClH/c1-20-10-14-13-4-2-3-5-15(13)22(21-14)11-6-8-12(9-7-11)23-16(17,18)19;/h2-9,20H,10H2,1H3;1H.
What are the key properties of N-methyl-1-[1-[4-(trifluoromethoxy)phenyl]indazol-3-yl]methanamine;hydrochloride?
N-methyl-1-[1-[4-(trifluoromethoxy)phenyl]indazol-3-yl]methanamine;hydrochloride has a molecular weight of 357.76 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[4-(trifluoromethoxy)phenyl]indazol-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 174050428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).