N-[(2,4-difluoro-6-methylphenyl)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-3-amine

C18H15F5N4 — CID 123448912

IUPACN-[(2,4-difluoro-6-methylphenyl)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-3-amine
SMILESCc1cc(F)cc(F)c1CNc1ccc(-c2cc(C(F)(F)F)nn2C)nc1
InChIInChI=1S/C18H15F5N4/c1-10-5-11(19)6-14(20)13(10)9-24-12-3-4-15(25-8-12)16-7-17(18(21,22)23)26-27(16)2/h3-8,24H,9H2,1-2H3
InChIKeyAPUJTUKSPCCAHV-UHFFFAOYSA-N
MW382.34 g/mol
LogP4.70
Rot. Bonds4

About N-[(2,4-difluoro-6-methylphenyl)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-3-amine

N-[(2,4-difluoro-6-methylphenyl)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-3-amine (PubChem CID 123448912) has the molecular formula C18H15F5N4 and a molecular weight of 382.34 g/mol. Its IUPAC name is N-[(2,4-difluoro-6-methylphenyl)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-3-amine.

Molecular Properties

Compound NameN-[(2,4-difluoro-6-methylphenyl)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-3-amine
PubChem CID123448912
Molecular FormulaC18H15F5N4
Molecular Weight382.34 g/mol
Exact Mass382.12
IUPAC NameN-[(2,4-difluoro-6-methylphenyl)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-3-amine
SMILESCc1cc(F)cc(F)c1CNc1ccc(-c2cc(C(F)(F)F)nn2C)nc1
InChIInChI=1S/C18H15F5N4/c1-10-5-11(19)6-14(20)13(10)9-24-12-3-4-15(25-8-12)16-7-17(18(21,22)23)26-27(16)2/h3-8,24H,9H2,1-2H3
InChIKeyAPUJTUKSPCCAHV-UHFFFAOYSA-N
XLogP4.70
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.34
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluoro-6-methylphenyl)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-3-amine?
The IUPAC name of N-[(2,4-difluoro-6-methylphenyl)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-3-amine (CID 123448912) is N-[(2,4-difluoro-6-methylphenyl)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-3-amine.
What is the SMILES notation for N-[(2,4-difluoro-6-methylphenyl)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-3-amine?
The canonical SMILES for N-[(2,4-difluoro-6-methylphenyl)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-3-amine is Cc1cc(F)cc(F)c1CNc1ccc(-c2cc(C(F)(F)F)nn2C)nc1.
What is the InChIKey of N-[(2,4-difluoro-6-methylphenyl)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-3-amine?
The InChIKey is APUJTUKSPCCAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F5N4/c1-10-5-11(19)6-14(20)13(10)9-24-12-3-4-15(25-8-12)16-7-17(18(21,22)23)26-27(16)2/h3-8,24H,9H2,1-2H3.
What are the key properties of N-[(2,4-difluoro-6-methylphenyl)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-3-amine?
N-[(2,4-difluoro-6-methylphenyl)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-3-amine has a molecular weight of 382.34 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluoro-6-methylphenyl)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-3-amine is sourced from PubChem (CID 123448912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).