1-methyl-3-N-propan-2-yl-3-N-(2,2,2-trifluoroethyl)pyrazole-3,4-diamine

C9H15F3N4 — CID 103078304

IUPAC1-methyl-3-N-propan-2-yl-3-N-(2,2,2-trifluoroethyl)pyrazole-3,4-diamine
SMILESCC(C)N(CC(F)(F)F)c1nn(C)cc1N
InChIInChI=1S/C9H15F3N4/c1-6(2)16(5-9(10,11)12)8-7(13)4-15(3)14-8/h4,6H,5,13H2,1-3H3
InChIKeyGQEJILCKMDZHPY-UHFFFAOYSA-N
MW236.24 g/mol
LogP1.78
Rot. Bonds3

About 1-methyl-3-N-propan-2-yl-3-N-(2,2,2-trifluoroethyl)pyrazole-3,4-diamine

1-methyl-3-N-propan-2-yl-3-N-(2,2,2-trifluoroethyl)pyrazole-3,4-diamine (PubChem CID 103078304) has the molecular formula C9H15F3N4 and a molecular weight of 236.24 g/mol. Its IUPAC name is 1-methyl-3-N-propan-2-yl-3-N-(2,2,2-trifluoroethyl)pyrazole-3,4-diamine.

Molecular Properties

Compound Name1-methyl-3-N-propan-2-yl-3-N-(2,2,2-trifluoroethyl)pyrazole-3,4-diamine
PubChem CID103078304
Molecular FormulaC9H15F3N4
Molecular Weight236.24 g/mol
Exact Mass236.12
IUPAC Name1-methyl-3-N-propan-2-yl-3-N-(2,2,2-trifluoroethyl)pyrazole-3,4-diamine
SMILESCC(C)N(CC(F)(F)F)c1nn(C)cc1N
InChIInChI=1S/C9H15F3N4/c1-6(2)16(5-9(10,11)12)8-7(13)4-15(3)14-8/h4,6H,5,13H2,1-3H3
InChIKeyGQEJILCKMDZHPY-UHFFFAOYSA-N
XLogP1.78
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-1H-pyrazole-4,5-diamine hydrochloride
CID 68601034
1-Methyl-1H-pyrazole-3,4-diamine dihydrochloride
CID 75531037
1-(2,2,2-Trifluoro-1-methyl-ethyl)pyrazol-4-amine
CID 151769896
1-Methyl-1H-pyrazole-4,5-diamine
CID 10290764
1-Ethyl-1H-pyrazole-3,4-diamine
CID 66509601
N,1-dimethyl-N-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]pyrazol-4-amine
CID 132361520
1-methyl-1H-pyrazole-3,4-diamine
CID 15166013
1-(2-Fluoroethyl)-1H-pyrazole-4,5-diamine
CID 21904539
1-(4,4-Difluorocyclohexyl)-4-isocyanopyrazol-5-amine
CID 57556350
4-Isocyano-1-(2,2,2-trifluoroethyl)pyrazol-5-amine
CID 57556360
1-(2,2,2-trifluoroethyl)-1H-pyrazole-3,4-diamine
CID 66509522
(+/-)-1-methyl-5-(3-(trifluoromethyl)piperazin-1-yl)-1H-pyrazol-4-amine
CID 86680081

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-N-propan-2-yl-3-N-(2,2,2-trifluoroethyl)pyrazole-3,4-diamine?
The IUPAC name of 1-methyl-3-N-propan-2-yl-3-N-(2,2,2-trifluoroethyl)pyrazole-3,4-diamine (CID 103078304) is 1-methyl-3-N-propan-2-yl-3-N-(2,2,2-trifluoroethyl)pyrazole-3,4-diamine.
What is the SMILES notation for 1-methyl-3-N-propan-2-yl-3-N-(2,2,2-trifluoroethyl)pyrazole-3,4-diamine?
The canonical SMILES for 1-methyl-3-N-propan-2-yl-3-N-(2,2,2-trifluoroethyl)pyrazole-3,4-diamine is CC(C)N(CC(F)(F)F)c1nn(C)cc1N.
What is the InChIKey of 1-methyl-3-N-propan-2-yl-3-N-(2,2,2-trifluoroethyl)pyrazole-3,4-diamine?
The InChIKey is GQEJILCKMDZHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N4/c1-6(2)16(5-9(10,11)12)8-7(13)4-15(3)14-8/h4,6H,5,13H2,1-3H3.
What are the key properties of 1-methyl-3-N-propan-2-yl-3-N-(2,2,2-trifluoroethyl)pyrazole-3,4-diamine?
1-methyl-3-N-propan-2-yl-3-N-(2,2,2-trifluoroethyl)pyrazole-3,4-diamine has a molecular weight of 236.24 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-N-propan-2-yl-3-N-(2,2,2-trifluoroethyl)pyrazole-3,4-diamine is sourced from PubChem (CID 103078304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).