3-N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-N,2-N-dimethyl-5-(trifluoromethyl)pyridine-2,3-diamine

C18H17ClF3N5 — CID 68723842

IUPAC3-N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-N,2-N-dimethyl-5-(trifluoromethyl)pyridine-2,3-diamine
SMILESCN(C)c1ncc(C(F)(F)F)cc1NCc1cn[nH]c1-c1ccc(Cl)cc1
InChIInChI=1S/C18H17ClF3N5/c1-27(2)17-15(7-13(10-24-17)18(20,21)22)23-8-12-9-25-26-16(12)11-3-5-14(19)6-4-11/h3-7,9-10,23H,8H2,1-2H3,(H,25,26)
InChIKeyFSVGIXQUGWVCOE-UHFFFAOYSA-N
MW395.82 g/mol
LogP4.82
Rot. Bonds5

About 3-N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-N,2-N-dimethyl-5-(trifluoromethyl)pyridine-2,3-diamine

3-N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-N,2-N-dimethyl-5-(trifluoromethyl)pyridine-2,3-diamine (PubChem CID 68723842) has the molecular formula C18H17ClF3N5 and a molecular weight of 395.82 g/mol. Its IUPAC name is 3-N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-N,2-N-dimethyl-5-(trifluoromethyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-N,2-N-dimethyl-5-(trifluoromethyl)pyridine-2,3-diamine
PubChem CID68723842
Molecular FormulaC18H17ClF3N5
Molecular Weight395.82 g/mol
Exact Mass395.11
IUPAC Name3-N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-N,2-N-dimethyl-5-(trifluoromethyl)pyridine-2,3-diamine
SMILESCN(C)c1ncc(C(F)(F)F)cc1NCc1cn[nH]c1-c1ccc(Cl)cc1
InChIInChI=1S/C18H17ClF3N5/c1-27(2)17-15(7-13(10-24-17)18(20,21)22)23-8-12-9-25-26-16(12)11-3-5-14(19)6-4-11/h3-7,9-10,23H,8H2,1-2H3,(H,25,26)
InChIKeyFSVGIXQUGWVCOE-UHFFFAOYSA-N
XLogP4.82
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.82
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-N,2-N-dimethyl-5-(trifluoromethyl)pyridine-2,3-diamine?
The IUPAC name of 3-N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-N,2-N-dimethyl-5-(trifluoromethyl)pyridine-2,3-diamine (CID 68723842) is 3-N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-N,2-N-dimethyl-5-(trifluoromethyl)pyridine-2,3-diamine.
What is the SMILES notation for 3-N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-N,2-N-dimethyl-5-(trifluoromethyl)pyridine-2,3-diamine?
The canonical SMILES for 3-N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-N,2-N-dimethyl-5-(trifluoromethyl)pyridine-2,3-diamine is CN(C)c1ncc(C(F)(F)F)cc1NCc1cn[nH]c1-c1ccc(Cl)cc1.
What is the InChIKey of 3-N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-N,2-N-dimethyl-5-(trifluoromethyl)pyridine-2,3-diamine?
The InChIKey is FSVGIXQUGWVCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF3N5/c1-27(2)17-15(7-13(10-24-17)18(20,21)22)23-8-12-9-25-26-16(12)11-3-5-14(19)6-4-11/h3-7,9-10,23H,8H2,1-2H3,(H,25,26).
What are the key properties of 3-N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-N,2-N-dimethyl-5-(trifluoromethyl)pyridine-2,3-diamine?
3-N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-N,2-N-dimethyl-5-(trifluoromethyl)pyridine-2,3-diamine has a molecular weight of 395.82 g/mol, XLogP of 4.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-N,2-N-dimethyl-5-(trifluoromethyl)pyridine-2,3-diamine is sourced from PubChem (CID 68723842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).