N'-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C11H19F3N4 — CID 107494848

IUPACN'-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCCc1cc(CN(CCN)CC(F)(F)F)n(C)n1
InChIInChI=1S/C11H19F3N4/c1-3-9-6-10(17(2)16-9)7-18(5-4-15)8-11(12,13)14/h6H,3-5,7-8,15H2,1-2H3
InChIKeyHSJDMQPOMURDJO-UHFFFAOYSA-N
MW264.29 g/mol
LogP1.31
Rot. Bonds6

About N'-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

N'-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 107494848) has the molecular formula C11H19F3N4 and a molecular weight of 264.29 g/mol. Its IUPAC name is N'-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID107494848
Molecular FormulaC11H19F3N4
Molecular Weight264.29 g/mol
Exact Mass264.16
IUPAC NameN'-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCCc1cc(CN(CCN)CC(F)(F)F)n(C)n1
InChIInChI=1S/C11H19F3N4/c1-3-9-6-10(17(2)16-9)7-18(5-4-15)8-11(12,13)14/h6H,3-5,7-8,15H2,1-2H3
InChIKeyHSJDMQPOMURDJO-UHFFFAOYSA-N
XLogP1.31
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-ethyl-1-methylpyrazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258433
N'-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79661679
N-(2-bromoethyl)-N-[(1,3-diethylpyrazol-5-yl)methyl]-2,2,2-trifluoroethanamine
CID 107488604
1-[ethyl-[(3-ethyl-1-methylpyrazol-5-yl)methyl]amino]-2-methylpropan-2-ol
CID 79389742
N-(2-bromoethyl)-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2,2-difluoroethanamine
CID 107487497
N'-[(1,3-diethylpyrazol-5-yl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79661919
1-chloro-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-N-methylpropan-2-amine
CID 104555024
methyl 3-[(3-ethyl-1-methylpyrazol-5-yl)methyl-(2-methoxyethyl)amino]propanoate
CID 115536442
1-(3-ethyl-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one
CID 116588612
[2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclopentyl]methanamine
CID 81009696
1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclooctan-1-amine
CID 80603738
3-[(3-ethyl-1-methylpyrazol-5-yl)methylsulfinyl]propan-1-amine
CID 81186505

Frequently Asked Questions

What is the IUPAC name of N'-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N'-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 107494848) is N'-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N'-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is CCc1cc(CN(CCN)CC(F)(F)F)n(C)n1.
What is the InChIKey of N'-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is HSJDMQPOMURDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N4/c1-3-9-6-10(17(2)16-9)7-18(5-4-15)8-11(12,13)14/h6H,3-5,7-8,15H2,1-2H3.
What are the key properties of N'-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N'-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 264.29 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 107494848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).