N'-methyl-N'-[[5-[4-(trifluoromethoxy)phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine

C14H17F3N4O — CID 86303533

IUPACN'-methyl-N'-[[5-[4-(trifluoromethoxy)phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
SMILESCN(CCN)Cc1cn[nH]c1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H17F3N4O/c1-21(7-6-18)9-11-8-19-20-13(11)10-2-4-12(5-3-10)22-14(15,16)17/h2-5,8H,6-7,9,18H2,1H3,(H,19,20)
InChIKeyGOVVJPHTEHHMIH-UHFFFAOYSA-N
MW314.31 g/mol
LogP2.37
Rot. Bonds6

About N'-methyl-N'-[[5-[4-(trifluoromethoxy)phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine

N'-methyl-N'-[[5-[4-(trifluoromethoxy)phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine (PubChem CID 86303533) has the molecular formula C14H17F3N4O and a molecular weight of 314.31 g/mol. Its IUPAC name is N'-methyl-N'-[[5-[4-(trifluoromethoxy)phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[[5-[4-(trifluoromethoxy)phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
PubChem CID86303533
Molecular FormulaC14H17F3N4O
Molecular Weight314.31 g/mol
Exact Mass314.14
IUPAC NameN'-methyl-N'-[[5-[4-(trifluoromethoxy)phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
SMILESCN(CCN)Cc1cn[nH]c1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H17F3N4O/c1-21(7-6-18)9-11-8-19-20-13(11)10-2-4-12(5-3-10)22-14(15,16)17/h2-5,8H,6-7,9,18H2,1H3,(H,19,20)
InChIKeyGOVVJPHTEHHMIH-UHFFFAOYSA-N
XLogP2.37
TPSA67.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[[5-[4-(trifluoromethoxy)phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-[[5-[4-(trifluoromethoxy)phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine (CID 86303533) is N'-methyl-N'-[[5-[4-(trifluoromethoxy)phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-[[5-[4-(trifluoromethoxy)phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-[[5-[4-(trifluoromethoxy)phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine is CN(CCN)Cc1cn[nH]c1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N'-methyl-N'-[[5-[4-(trifluoromethoxy)phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine?
The InChIKey is GOVVJPHTEHHMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4O/c1-21(7-6-18)9-11-8-19-20-13(11)10-2-4-12(5-3-10)22-14(15,16)17/h2-5,8H,6-7,9,18H2,1H3,(H,19,20).
What are the key properties of N'-methyl-N'-[[5-[4-(trifluoromethoxy)phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine?
N'-methyl-N'-[[5-[4-(trifluoromethoxy)phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine has a molecular weight of 314.31 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[[5-[4-(trifluoromethoxy)phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 86303533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).