3-ethyl-1-methyl-N-(4,4,4-trifluorobutan-2-yl)pyrazol-4-amine

C10H16F3N3 — CID 115923177

IUPAC3-ethyl-1-methyl-N-(4,4,4-trifluorobutan-2-yl)pyrazol-4-amine
SMILESCCc1nn(C)cc1NC(C)CC(F)(F)F
InChIInChI=1S/C10H16F3N3/c1-4-8-9(6-16(3)15-8)14-7(2)5-10(11,12)13/h6-7,14H,4-5H2,1-3H3
InChIKeyJYCNHYUVRXGWGQ-UHFFFAOYSA-N
MW235.25 g/mol
LogP2.74
Rot. Bonds4

About 3-ethyl-1-methyl-N-(4,4,4-trifluorobutan-2-yl)pyrazol-4-amine

3-ethyl-1-methyl-N-(4,4,4-trifluorobutan-2-yl)pyrazol-4-amine (PubChem CID 115923177) has the molecular formula C10H16F3N3 and a molecular weight of 235.25 g/mol. Its IUPAC name is 3-ethyl-1-methyl-N-(4,4,4-trifluorobutan-2-yl)pyrazol-4-amine.

Molecular Properties

Compound Name3-ethyl-1-methyl-N-(4,4,4-trifluorobutan-2-yl)pyrazol-4-amine
PubChem CID115923177
Molecular FormulaC10H16F3N3
Molecular Weight235.25 g/mol
Exact Mass235.13
IUPAC Name3-ethyl-1-methyl-N-(4,4,4-trifluorobutan-2-yl)pyrazol-4-amine
SMILESCCc1nn(C)cc1NC(C)CC(F)(F)F
InChIInChI=1S/C10H16F3N3/c1-4-8-9(6-16(3)15-8)14-7(2)5-10(11,12)13/h6-7,14H,4-5H2,1-3H3
InChIKeyJYCNHYUVRXGWGQ-UHFFFAOYSA-N
XLogP2.74
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-methyl-N-pentan-2-ylpyrazol-4-amine
CID 115923160
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4,4,4-trifluorobutan-2-amine
CID 103898846
N-(1,1-dimethoxypropan-2-yl)-3-ethyl-1-methylpyrazol-4-amine
CID 107462393
3-ethyl-1-methyl-N-(2-methylpentan-3-yl)pyrazol-4-amine
CID 115923153
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-ethyl-1-methylpyrazol-4-amine
CID 113354221
methyl (2R)-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]propanoate
CID 124679700
N-(2,2-dimethylpropyl)-3-ethyl-1-methylpyrazol-4-amine
CID 115898031
3-ethyl-1-methyl-N-pent-1-yn-3-ylpyrazol-4-amine
CID 107462723
3-ethyl-1-methyl-N-(1-thiophen-2-ylethyl)pyrazol-4-amine
CID 115923197
(3-ethyl-1-methylpyrazol-4-yl)hydrazine
CID 107462607
ethyl 2-[(3-ethyl-1-methylpyrazol-4-yl)amino]propanoate
CID 104700571
N-[1-(3,4-dimethoxyphenyl)-2,2,2-trifluoroethyl]-3-ethyl-1-methylpyrazol-4-amine
CID 136571896

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-N-(4,4,4-trifluorobutan-2-yl)pyrazol-4-amine?
The IUPAC name of 3-ethyl-1-methyl-N-(4,4,4-trifluorobutan-2-yl)pyrazol-4-amine (CID 115923177) is 3-ethyl-1-methyl-N-(4,4,4-trifluorobutan-2-yl)pyrazol-4-amine.
What is the SMILES notation for 3-ethyl-1-methyl-N-(4,4,4-trifluorobutan-2-yl)pyrazol-4-amine?
The canonical SMILES for 3-ethyl-1-methyl-N-(4,4,4-trifluorobutan-2-yl)pyrazol-4-amine is CCc1nn(C)cc1NC(C)CC(F)(F)F.
What is the InChIKey of 3-ethyl-1-methyl-N-(4,4,4-trifluorobutan-2-yl)pyrazol-4-amine?
The InChIKey is JYCNHYUVRXGWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3/c1-4-8-9(6-16(3)15-8)14-7(2)5-10(11,12)13/h6-7,14H,4-5H2,1-3H3.
What are the key properties of 3-ethyl-1-methyl-N-(4,4,4-trifluorobutan-2-yl)pyrazol-4-amine?
3-ethyl-1-methyl-N-(4,4,4-trifluorobutan-2-yl)pyrazol-4-amine has a molecular weight of 235.25 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-N-(4,4,4-trifluorobutan-2-yl)pyrazol-4-amine is sourced from PubChem (CID 115923177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).