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

C14H18F2N4O — CID 86303531

IUPACN'-[[5-[4-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine
SMILESCN(CCN)Cc1cn[nH]c1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C14H18F2N4O/c1-20(7-6-17)9-11-8-18-19-13(11)10-2-4-12(5-3-10)21-14(15)16/h2-5,8,14H,6-7,9,17H2,1H3,(H,18,19)
InChIKeyFRAOQNJKDQLFFU-UHFFFAOYSA-N
MW296.32 g/mol
LogP2.07
Rot. Bonds7

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

N'-[[5-[4-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine (PubChem CID 86303531) has the molecular formula C14H18F2N4O and a molecular weight of 296.32 g/mol. Its IUPAC name is N'-[[5-[4-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[5-[4-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine
PubChem CID86303531
Molecular FormulaC14H18F2N4O
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC NameN'-[[5-[4-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine
SMILESCN(CCN)Cc1cn[nH]c1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C14H18F2N4O/c1-20(7-6-17)9-11-8-18-19-13(11)10-2-4-12(5-3-10)21-14(15)16/h2-5,8,14H,6-7,9,17H2,1H3,(H,18,19)
InChIKeyFRAOQNJKDQLFFU-UHFFFAOYSA-N
XLogP2.07
TPSA67.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-[[5-[4-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N'-[[5-[4-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine (CID 86303531) is N'-[[5-[4-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-[[5-[4-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-[[5-[4-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine is CN(CCN)Cc1cn[nH]c1-c1ccc(OC(F)F)cc1.
What is the InChIKey of N'-[[5-[4-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine?
The InChIKey is FRAOQNJKDQLFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N4O/c1-20(7-6-17)9-11-8-18-19-13(11)10-2-4-12(5-3-10)21-14(15)16/h2-5,8,14H,6-7,9,17H2,1H3,(H,18,19).
What are the key properties of N'-[[5-[4-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine?
N'-[[5-[4-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine has a molecular weight of 296.32 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[5-[4-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 86303531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).