4,6-dimethyl-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]pyridin-2-amine

C18H17F3N4 — CID 68723469

IUPAC4,6-dimethyl-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]pyridin-2-amine
SMILESCc1cc(C)nc(NCc2cn[nH]c2-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C18H17F3N4/c1-11-7-12(2)24-16(8-11)22-9-14-10-23-25-17(14)13-3-5-15(6-4-13)18(19,20)21/h3-8,10H,9H2,1-2H3,(H,22,24)(H,23,25)
InChIKeySSBMKUUBFCABAP-UHFFFAOYSA-N
MW346.36 g/mol
LogP4.72
Rot. Bonds4

About 4,6-dimethyl-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]pyridin-2-amine

4,6-dimethyl-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]pyridin-2-amine (PubChem CID 68723469) has the molecular formula C18H17F3N4 and a molecular weight of 346.36 g/mol. Its IUPAC name is 4,6-dimethyl-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]pyridin-2-amine
PubChem CID68723469
Molecular FormulaC18H17F3N4
Molecular Weight346.36 g/mol
Exact Mass346.14
IUPAC Name4,6-dimethyl-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]pyridin-2-amine
SMILESCc1cc(C)nc(NCc2cn[nH]c2-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C18H17F3N4/c1-11-7-12(2)24-16(8-11)22-9-14-10-23-25-17(14)13-3-5-15(6-4-13)18(19,20)21/h3-8,10H,9H2,1-2H3,(H,22,24)(H,23,25)
InChIKeySSBMKUUBFCABAP-UHFFFAOYSA-N
XLogP4.72
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]pyridin-2-amine?
The IUPAC name of 4,6-dimethyl-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]pyridin-2-amine (CID 68723469) is 4,6-dimethyl-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]pyridin-2-amine.
What is the SMILES notation for 4,6-dimethyl-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]pyridin-2-amine?
The canonical SMILES for 4,6-dimethyl-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]pyridin-2-amine is Cc1cc(C)nc(NCc2cn[nH]c2-c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 4,6-dimethyl-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]pyridin-2-amine?
The InChIKey is SSBMKUUBFCABAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4/c1-11-7-12(2)24-16(8-11)22-9-14-10-23-25-17(14)13-3-5-15(6-4-13)18(19,20)21/h3-8,10H,9H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 4,6-dimethyl-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]pyridin-2-amine?
4,6-dimethyl-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]pyridin-2-amine has a molecular weight of 346.36 g/mol, XLogP of 4.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 68723469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).