N-methyl-1-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C9H15F3N4 — CID 60893091

IUPACN-methyl-1-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCN(CC(F)(F)F)C(CN)c1cnn(C)c1
InChIInChI=1S/C9H15F3N4/c1-15(6-9(10,11)12)8(3-13)7-4-14-16(2)5-7/h4-5,8H,3,6,13H2,1-2H3
InChIKeyDHTBEPJMPZIGHK-UHFFFAOYSA-N
MW236.24 g/mol
LogP0.91
Rot. Bonds4

About N-methyl-1-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine

N-methyl-1-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 60893091) has the molecular formula C9H15F3N4 and a molecular weight of 236.24 g/mol. Its IUPAC name is N-methyl-1-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-1-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID60893091
Molecular FormulaC9H15F3N4
Molecular Weight236.24 g/mol
Exact Mass236.12
IUPAC NameN-methyl-1-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCN(CC(F)(F)F)C(CN)c1cnn(C)c1
InChIInChI=1S/C9H15F3N4/c1-15(6-9(10,11)12)8(3-13)7-4-14-16(2)5-7/h4-5,8H,3,6,13H2,1-2H3
InChIKeyDHTBEPJMPZIGHK-UHFFFAOYSA-N
XLogP0.91
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-N-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 43199885
N-butan-2-yl-N-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 43272781
N-methyl-N-[(2-methylphenyl)methyl]-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 61411834
N-methyl-1-(1-methylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 43564795
N-cyclohexyl-N-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 43199868
N,N-dibutyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 43125888
N-ethyl-N-(1-methoxypropan-2-yl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 55011601
1-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 61438648
(1R)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 93094324
N-ethyl-1-(1-ethylpyrazol-4-yl)-N-methylethane-1,2-diamine
CID 103569436
4,4,4-trifluoro-3-(1-methylpyrazol-4-yl)butan-1-amine
CID 82534762
2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-(1-methylpyrazol-4-yl)ethanamine
CID 102721703

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N-methyl-1-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 60893091) is N-methyl-1-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N-methyl-1-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N-methyl-1-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine is CN(CC(F)(F)F)C(CN)c1cnn(C)c1.
What is the InChIKey of N-methyl-1-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is DHTBEPJMPZIGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N4/c1-15(6-9(10,11)12)8(3-13)7-4-14-16(2)5-7/h4-5,8H,3,6,13H2,1-2H3.
What are the key properties of N-methyl-1-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N-methyl-1-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 236.24 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methylpyrazol-4-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 60893091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).