1-ethyl-3-methyl-5-N-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine

C11H19F3N4 — CID 66010891

IUPAC1-ethyl-3-methyl-5-N-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
SMILESCCCN(CC(F)(F)F)c1c(N)c(C)nn1CC
InChIInChI=1S/C11H19F3N4/c1-4-6-17(7-11(12,13)14)10-9(15)8(3)16-18(10)5-2/h4-7,15H2,1-3H3
InChIKeyFZTSJGZECXWJIP-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.57
Rot. Bonds5

About 1-ethyl-3-methyl-5-N-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine

1-ethyl-3-methyl-5-N-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine (PubChem CID 66010891) has the molecular formula C11H19F3N4 and a molecular weight of 264.29 g/mol. Its IUPAC name is 1-ethyl-3-methyl-5-N-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine.

Molecular Properties

Compound Name1-ethyl-3-methyl-5-N-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
PubChem CID66010891
Molecular FormulaC11H19F3N4
Molecular Weight264.29 g/mol
Exact Mass264.16
IUPAC Name1-ethyl-3-methyl-5-N-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
SMILESCCCN(CC(F)(F)F)c1c(N)c(C)nn1CC
InChIInChI=1S/C11H19F3N4/c1-4-6-17(7-11(12,13)14)10-9(15)8(3)16-18(10)5-2/h4-7,15H2,1-3H3
InChIKeyFZTSJGZECXWJIP-UHFFFAOYSA-N
XLogP2.57
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N5-ethyl-1,3-dimethyl-1H-pyrazole-4,5-diamine hydrochloride
CID 154857210
N5-Ethyl-1,3-dimethyl-1H-pyrazole-4,5-diamine
CID 43554024
1-[3-(dimethylamino)propyl]-3-fluoro-5-N,5-N-dimethylpyrazole-4,5-diamine
CID 68781118
6-(trifluoromethyl)-3H-pyrazolo[5,1-c][1,2,4]triazol-7-amine
CID 69732599
1-Methyl-5-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)pyrazol-4-amine
CID 71176960
3-Methyl-1-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole-4,5-diamine
CID 146482441
1-methyl-4-nitro-N,N-dipropyl-5-(trifluoromethyl)pyrazol-3-amine
CID 10469680
1,3-dimethyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
CID 43554056
1,3-dimethyl-4-nitro-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
CID 43554241
1,3-dimethyl-4-(methylaminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
CID 55008674
1,3-dimethyl-4-(methylaminomethyl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
CID 55008876
4-(aminomethyl)-1,3-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
CID 55008928

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-5-N-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine?
The IUPAC name of 1-ethyl-3-methyl-5-N-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine (CID 66010891) is 1-ethyl-3-methyl-5-N-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine.
What is the SMILES notation for 1-ethyl-3-methyl-5-N-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine?
The canonical SMILES for 1-ethyl-3-methyl-5-N-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine is CCCN(CC(F)(F)F)c1c(N)c(C)nn1CC.
What is the InChIKey of 1-ethyl-3-methyl-5-N-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine?
The InChIKey is FZTSJGZECXWJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N4/c1-4-6-17(7-11(12,13)14)10-9(15)8(3)16-18(10)5-2/h4-7,15H2,1-3H3.
What are the key properties of 1-ethyl-3-methyl-5-N-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine?
1-ethyl-3-methyl-5-N-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine has a molecular weight of 264.29 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-5-N-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine is sourced from PubChem (CID 66010891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).