1-methyl-4-(4,4,4-trifluoro-1-hydrazinylbutyl)pyrazol-5-amine

C8H14F3N5 — CID 105230684

IUPAC1-methyl-4-(4,4,4-trifluoro-1-hydrazinylbutyl)pyrazol-5-amine
SMILESCn1ncc(C(CCC(F)(F)F)NN)c1N
InChIInChI=1S/C8H14F3N5/c1-16-7(12)5(4-14-16)6(15-13)2-3-8(9,10)11/h4,6,15H,2-3,12-13H2,1H3
InChIKeyRPBOMSSJLJEHCT-UHFFFAOYSA-N
MW237.23 g/mol
LogP0.85
Rot. Bonds4

About 1-methyl-4-(4,4,4-trifluoro-1-hydrazinylbutyl)pyrazol-5-amine

1-methyl-4-(4,4,4-trifluoro-1-hydrazinylbutyl)pyrazol-5-amine (PubChem CID 105230684) has the molecular formula C8H14F3N5 and a molecular weight of 237.23 g/mol. Its IUPAC name is 1-methyl-4-(4,4,4-trifluoro-1-hydrazinylbutyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-4-(4,4,4-trifluoro-1-hydrazinylbutyl)pyrazol-5-amine
PubChem CID105230684
Molecular FormulaC8H14F3N5
Molecular Weight237.23 g/mol
Exact Mass237.12
IUPAC Name1-methyl-4-(4,4,4-trifluoro-1-hydrazinylbutyl)pyrazol-5-amine
SMILESCn1ncc(C(CCC(F)(F)F)NN)c1N
InChIInChI=1S/C8H14F3N5/c1-16-7(12)5(4-14-16)6(15-13)2-3-8(9,10)11/h4,6,15H,2-3,12-13H2,1H3
InChIKeyRPBOMSSJLJEHCT-UHFFFAOYSA-N
XLogP0.85
TPSA81.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-methyl-4-(4,4,4-trifluoro-1-hydrazinylbutyl)pyrazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-Fluoro-5-(1-methylpyrazol-4-yl)-3,4-dihydropyridin-2-yl]hydrazine
CID 123517826
4,4,4-Trifluoro-1-(1-methylpyrazol-4-yl)butan-1-amine
CID 65195548
[6,6,6-Trifluoro-1-(1-methylpyrazol-4-yl)hexan-3-yl]hydrazine
CID 103025573
[1,1,1-Trifluoro-5-(1-methylpyrazol-4-yl)pentan-3-yl]hydrazine
CID 103025722
[1,1,1-Trifluoro-4-(1-methylpyrazol-4-yl)butan-2-yl]hydrazine
CID 103025856
[1,1-Difluoro-4-(1-methylpyrazol-4-yl)butan-2-yl]hydrazine
CID 103027033
[1-Chloro-1,1-difluoro-4-(1-methylpyrazol-4-yl)butan-2-yl]hydrazine
CID 103027036
1,1,1-Trifluoro-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 103029844
[3,3,3-Trifluoro-1-(1-propylpyrazol-4-yl)-2-(trifluoromethyl)propyl]hydrazine
CID 103312732
[3,3,3-Trifluoro-1-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)propyl]hydrazine
CID 103312733
[1-(1-Ethylpyrazol-4-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine
CID 103312739
[4,4,4-Trifluoro-1-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)butan-2-yl]hydrazine
CID 103312744

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4,4,4-trifluoro-1-hydrazinylbutyl)pyrazol-5-amine?
The IUPAC name of 1-methyl-4-(4,4,4-trifluoro-1-hydrazinylbutyl)pyrazol-5-amine (CID 105230684) is 1-methyl-4-(4,4,4-trifluoro-1-hydrazinylbutyl)pyrazol-5-amine.
What is the SMILES notation for 1-methyl-4-(4,4,4-trifluoro-1-hydrazinylbutyl)pyrazol-5-amine?
The canonical SMILES for 1-methyl-4-(4,4,4-trifluoro-1-hydrazinylbutyl)pyrazol-5-amine is Cn1ncc(C(CCC(F)(F)F)NN)c1N.
What is the InChIKey of 1-methyl-4-(4,4,4-trifluoro-1-hydrazinylbutyl)pyrazol-5-amine?
The InChIKey is RPBOMSSJLJEHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N5/c1-16-7(12)5(4-14-16)6(15-13)2-3-8(9,10)11/h4,6,15H,2-3,12-13H2,1H3.
What are the key properties of 1-methyl-4-(4,4,4-trifluoro-1-hydrazinylbutyl)pyrazol-5-amine?
1-methyl-4-(4,4,4-trifluoro-1-hydrazinylbutyl)pyrazol-5-amine has a molecular weight of 237.23 g/mol, XLogP of 0.85, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4,4,4-trifluoro-1-hydrazinylbutyl)pyrazol-5-amine is sourced from PubChem (CID 105230684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).