N-[(2-fluoro-6-methylphenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine

C18H16F4N4 — CID 71086589

IUPACN-[(2-fluoro-6-methylphenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine
SMILESCc1cccc(F)c1CNc1ccc(-c2cc(C(F)(F)F)nn2C)cn1
InChIInChI=1S/C18H16F4N4/c1-11-4-3-5-14(19)13(11)10-24-17-7-6-12(9-23-17)15-8-16(18(20,21)22)25-26(15)2/h3-9H,10H2,1-2H3,(H,23,24)
InChIKeyYCLZESJJLPHDMB-UHFFFAOYSA-N
MW364.35 g/mol
LogP4.56
Rot. Bonds4

About N-[(2-fluoro-6-methylphenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine

N-[(2-fluoro-6-methylphenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine (PubChem CID 71086589) has the molecular formula C18H16F4N4 and a molecular weight of 364.35 g/mol. Its IUPAC name is N-[(2-fluoro-6-methylphenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-[(2-fluoro-6-methylphenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine
PubChem CID71086589
Molecular FormulaC18H16F4N4
Molecular Weight364.35 g/mol
Exact Mass364.13
IUPAC NameN-[(2-fluoro-6-methylphenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine
SMILESCc1cccc(F)c1CNc1ccc(-c2cc(C(F)(F)F)nn2C)cn1
InChIInChI=1S/C18H16F4N4/c1-11-4-3-5-14(19)13(11)10-24-17-7-6-12(9-23-17)15-8-16(18(20,21)22)25-26(15)2/h3-9H,10H2,1-2H3,(H,23,24)
InChIKeyYCLZESJJLPHDMB-UHFFFAOYSA-N
XLogP4.56
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.35
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N2-((1S)-1-(4-Fluorophenyl)ethyl)-4-(1-methyl-1H-pyrazol-4-yl)-N6-2-pyrazinyl-2,6-pyridinediamine
CID 46866319
Pyrazolo[1,5-b]pyridazine deriv. 35
CID 6539377
5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066096
N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo(1,5-a)pyrimidin-7-amine
CID 44629554
Arylpyrazole, 31
CID 44143431
Pyrazolo[1,5-b]pyridazine deriv. 28
CID 6539370
5-bromo-N4-(3-cyclopropyl-1H-pyrazol-5-yl)-N2-[(1S)-1-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 11212221
N-[3-fluoro-4-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 25263434
3-(6-{[(1s)-1-(4-Fluorophenyl)ethyl]amino}pyrimidin-4-Yl)pyrazolo[1,5-A]pyrimidin-2-Amine
CID 44159834
1-{4-[3-(4-Fluorophenyl)-1-Methyl-1h-Pyrazol-4-Yl]pyridin-2-Yl}-N-Methylmethanamine
CID 71710904
(R)-3-(6-(1-(4-fluorophenyl)butylamino)pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine
CID 44159000
(R)-3-(6-(1-(4-fluorophenyl)-2-methylpropylamino)pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine
CID 44159001

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-6-methylphenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine?
The IUPAC name of N-[(2-fluoro-6-methylphenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine (CID 71086589) is N-[(2-fluoro-6-methylphenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine.
What is the SMILES notation for N-[(2-fluoro-6-methylphenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine?
The canonical SMILES for N-[(2-fluoro-6-methylphenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine is Cc1cccc(F)c1CNc1ccc(-c2cc(C(F)(F)F)nn2C)cn1.
What is the InChIKey of N-[(2-fluoro-6-methylphenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine?
The InChIKey is YCLZESJJLPHDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F4N4/c1-11-4-3-5-14(19)13(11)10-24-17-7-6-12(9-23-17)15-8-16(18(20,21)22)25-26(15)2/h3-9H,10H2,1-2H3,(H,23,24).
What are the key properties of N-[(2-fluoro-6-methylphenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine?
N-[(2-fluoro-6-methylphenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine has a molecular weight of 364.35 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-6-methylphenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 71086589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).