3-N,1-dimethyl-3-N-(3,3,3-trifluoropropyl)pyrazole-3,4-diamine

C8H13F3N4 — CID 103078635

IUPAC3-N,1-dimethyl-3-N-(3,3,3-trifluoropropyl)pyrazole-3,4-diamine
SMILESCN(CCC(F)(F)F)c1nn(C)cc1N
InChIInChI=1S/C8H13F3N4/c1-14(4-3-8(9,10)11)7-6(12)5-15(2)13-7/h5H,3-4,12H2,1-2H3
InChIKeyPMVADEZQVXRQIM-UHFFFAOYSA-N
MW222.21 g/mol
LogP1.39
Rot. Bonds3

About 3-N,1-dimethyl-3-N-(3,3,3-trifluoropropyl)pyrazole-3,4-diamine

3-N,1-dimethyl-3-N-(3,3,3-trifluoropropyl)pyrazole-3,4-diamine (PubChem CID 103078635) has the molecular formula C8H13F3N4 and a molecular weight of 222.21 g/mol. Its IUPAC name is 3-N,1-dimethyl-3-N-(3,3,3-trifluoropropyl)pyrazole-3,4-diamine.

Molecular Properties

Compound Name3-N,1-dimethyl-3-N-(3,3,3-trifluoropropyl)pyrazole-3,4-diamine
PubChem CID103078635
Molecular FormulaC8H13F3N4
Molecular Weight222.21 g/mol
Exact Mass222.11
IUPAC Name3-N,1-dimethyl-3-N-(3,3,3-trifluoropropyl)pyrazole-3,4-diamine
SMILESCN(CCC(F)(F)F)c1nn(C)cc1N
InChIInChI=1S/C8H13F3N4/c1-14(4-3-8(9,10)11)7-6(12)5-15(2)13-7/h5H,3-4,12H2,1-2H3
InChIKeyPMVADEZQVXRQIM-UHFFFAOYSA-N
XLogP1.39
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 51.39
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-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-4,5-diamine dihydrochloride
CID 13525020
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-Hexylpyrazole-4,5-diamine
CID 69718352

Frequently Asked Questions

What is the IUPAC name of 3-N,1-dimethyl-3-N-(3,3,3-trifluoropropyl)pyrazole-3,4-diamine?
The IUPAC name of 3-N,1-dimethyl-3-N-(3,3,3-trifluoropropyl)pyrazole-3,4-diamine (CID 103078635) is 3-N,1-dimethyl-3-N-(3,3,3-trifluoropropyl)pyrazole-3,4-diamine.
What is the SMILES notation for 3-N,1-dimethyl-3-N-(3,3,3-trifluoropropyl)pyrazole-3,4-diamine?
The canonical SMILES for 3-N,1-dimethyl-3-N-(3,3,3-trifluoropropyl)pyrazole-3,4-diamine is CN(CCC(F)(F)F)c1nn(C)cc1N.
What is the InChIKey of 3-N,1-dimethyl-3-N-(3,3,3-trifluoropropyl)pyrazole-3,4-diamine?
The InChIKey is PMVADEZQVXRQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N4/c1-14(4-3-8(9,10)11)7-6(12)5-15(2)13-7/h5H,3-4,12H2,1-2H3.
What are the key properties of 3-N,1-dimethyl-3-N-(3,3,3-trifluoropropyl)pyrazole-3,4-diamine?
3-N,1-dimethyl-3-N-(3,3,3-trifluoropropyl)pyrazole-3,4-diamine has a molecular weight of 222.21 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,1-dimethyl-3-N-(3,3,3-trifluoropropyl)pyrazole-3,4-diamine is sourced from PubChem (CID 103078635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).