3-(1-methylpyrazol-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]quinolin-6-amine

C21H17F3N4 — CID 42609197

IUPAC3-(1-methylpyrazol-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]quinolin-6-amine
SMILESCn1cc(-c2cnc3ccc(NCc4cccc(C(F)(F)F)c4)cc3c2)cn1
InChIInChI=1S/C21H17F3N4/c1-28-13-17(12-27-28)16-8-15-9-19(5-6-20(15)26-11-16)25-10-14-3-2-4-18(7-14)21(22,23)24/h2-9,11-13,25H,10H2,1H3
InChIKeyWFWJNUHMKXUPON-UHFFFAOYSA-N
MW382.39 g/mol
LogP5.27
Rot. Bonds4

About 3-(1-methylpyrazol-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]quinolin-6-amine

3-(1-methylpyrazol-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]quinolin-6-amine (PubChem CID 42609197) has the molecular formula C21H17F3N4 and a molecular weight of 382.39 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]quinolin-6-amine.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]quinolin-6-amine
PubChem CID42609197
Molecular FormulaC21H17F3N4
Molecular Weight382.39 g/mol
Exact Mass382.14
IUPAC Name3-(1-methylpyrazol-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]quinolin-6-amine
SMILESCn1cc(-c2cnc3ccc(NCc4cccc(C(F)(F)F)c4)cc3c2)cn1
InChIInChI=1S/C21H17F3N4/c1-28-13-17(12-27-28)16-8-15-9-19(5-6-20(15)26-11-16)25-10-14-3-2-4-18(7-14)21(22,23)24/h2-9,11-13,25H,10H2,1H3
InChIKeyWFWJNUHMKXUPON-UHFFFAOYSA-N
XLogP5.27
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.39
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methylpyrazol-4-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 32610322
N-[(4-fluorophenyl)methyl]-7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-2-amine
CID 122184265
N-[(1-methylpyrazol-4-yl)methyl]quinolin-3-amine
CID 43691138
N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrido[2,3-b]pyrazin-6-amine
CID 133411514
2-methyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]benzene-1,4-diamine
CID 43436206
5-methyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-2-amine
CID 133411690
N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 10658372
1-methyl-N-[3-(trifluoromethyl)phenyl]pyrazol-4-amine
CID 159276710
4-iodo-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 28878737
methyl 3-(1-methylpyrazol-4-yl)quinoline-6-carboxylate
CID 141370295
2-cyclopropyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-4-amine
CID 133411504
3-[[(1-methylpyrazol-4-yl)amino]methyl]phenol
CID 19627574

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]quinolin-6-amine?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]quinolin-6-amine (CID 42609197) is 3-(1-methylpyrazol-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]quinolin-6-amine.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]quinolin-6-amine?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]quinolin-6-amine is Cn1cc(-c2cnc3ccc(NCc4cccc(C(F)(F)F)c4)cc3c2)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]quinolin-6-amine?
The InChIKey is WFWJNUHMKXUPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N4/c1-28-13-17(12-27-28)16-8-15-9-19(5-6-20(15)26-11-16)25-10-14-3-2-4-18(7-14)21(22,23)24/h2-9,11-13,25H,10H2,1H3.
What are the key properties of 3-(1-methylpyrazol-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]quinolin-6-amine?
3-(1-methylpyrazol-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]quinolin-6-amine has a molecular weight of 382.39 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]quinolin-6-amine is sourced from PubChem (CID 42609197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).