N'-[[4-[3-chloro-2-methyl-4-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N,N'-dimethylethane-1,2-diamine

C19H26ClF3N4O — CID 85473273

IUPACN'-[[4-[3-chloro-2-methyl-4-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)Cc1[nH]ncc1-c1cc(C(F)(F)F)c(OC(C)C)c(Cl)c1C
InChIInChI=1S/C19H26ClF3N4O/c1-11(2)28-18-15(19(21,22)23)8-13(12(3)17(18)20)14-9-25-26-16(14)10-27(5)7-6-24-4/h8-9,11,24H,6-7,10H2,1-5H3,(H,25,26)
InChIKeyTYIJZPDIVFZTQW-UHFFFAOYSA-N
MW418.89 g/mol
LogP4.50
Rot. Bonds8

About N'-[[4-[3-chloro-2-methyl-4-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N,N'-dimethylethane-1,2-diamine

N'-[[4-[3-chloro-2-methyl-4-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N,N'-dimethylethane-1,2-diamine (PubChem CID 85473273) has the molecular formula C19H26ClF3N4O and a molecular weight of 418.89 g/mol. Its IUPAC name is N'-[[4-[3-chloro-2-methyl-4-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[4-[3-chloro-2-methyl-4-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N,N'-dimethylethane-1,2-diamine
PubChem CID85473273
Molecular FormulaC19H26ClF3N4O
Molecular Weight418.89 g/mol
Exact Mass418.17
IUPAC NameN'-[[4-[3-chloro-2-methyl-4-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)Cc1[nH]ncc1-c1cc(C(F)(F)F)c(OC(C)C)c(Cl)c1C
InChIInChI=1S/C19H26ClF3N4O/c1-11(2)28-18-15(19(21,22)23)8-13(12(3)17(18)20)14-9-25-26-16(14)10-27(5)7-6-24-4/h8-9,11,24H,6-7,10H2,1-5H3,(H,25,26)
InChIKeyTYIJZPDIVFZTQW-UHFFFAOYSA-N
XLogP4.50
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.89
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-[[4-[3-chloro-2-methyl-4-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-[[4-[3-chloro-2-methyl-4-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N,N'-dimethylethane-1,2-diamine (CID 85473273) is N'-[[4-[3-chloro-2-methyl-4-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-[[4-[3-chloro-2-methyl-4-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-[[4-[3-chloro-2-methyl-4-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N,N'-dimethylethane-1,2-diamine is CNCCN(C)Cc1[nH]ncc1-c1cc(C(F)(F)F)c(OC(C)C)c(Cl)c1C.
What is the InChIKey of N'-[[4-[3-chloro-2-methyl-4-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N,N'-dimethylethane-1,2-diamine?
The InChIKey is TYIJZPDIVFZTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClF3N4O/c1-11(2)28-18-15(19(21,22)23)8-13(12(3)17(18)20)14-9-25-26-16(14)10-27(5)7-6-24-4/h8-9,11,24H,6-7,10H2,1-5H3,(H,25,26).
What are the key properties of N'-[[4-[3-chloro-2-methyl-4-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N,N'-dimethylethane-1,2-diamine?
N'-[[4-[3-chloro-2-methyl-4-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N,N'-dimethylethane-1,2-diamine has a molecular weight of 418.89 g/mol, XLogP of 4.50, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[4-[3-chloro-2-methyl-4-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 85473273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).