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

C7H12F3N5 — CID 105231017

IUPAC4-(4,4,4-trifluoro-1-hydrazinylbutyl)-1H-pyrazol-5-amine
SMILESNNC(CCC(F)(F)F)c1cn[nH]c1N
InChIInChI=1S/C7H12F3N5/c8-7(9,10)2-1-5(14-12)4-3-13-15-6(4)11/h3,5,14H,1-2,12H2,(H3,11,13,15)
InChIKeyAFQXQYAWVXRKNF-UHFFFAOYSA-N
MW223.20 g/mol
LogP0.84
Rot. Bonds4

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

4-(4,4,4-trifluoro-1-hydrazinylbutyl)-1H-pyrazol-5-amine (PubChem CID 105231017) has the molecular formula C7H12F3N5 and a molecular weight of 223.20 g/mol. Its IUPAC name is 4-(4,4,4-trifluoro-1-hydrazinylbutyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(4,4,4-trifluoro-1-hydrazinylbutyl)-1H-pyrazol-5-amine
PubChem CID105231017
Molecular FormulaC7H12F3N5
Molecular Weight223.20 g/mol
Exact Mass223.10
IUPAC Name4-(4,4,4-trifluoro-1-hydrazinylbutyl)-1H-pyrazol-5-amine
SMILESNNC(CCC(F)(F)F)c1cn[nH]c1N
InChIInChI=1S/C7H12F3N5/c8-7(9,10)2-1-5(14-12)4-3-13-15-6(4)11/h3,5,14H,1-2,12H2,(H3,11,13,15)
InChIKeyAFQXQYAWVXRKNF-UHFFFAOYSA-N
XLogP0.84
TPSA92.75 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 50.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-cyclopropyl-1H-pyrazol-3-amine
CID 23569310
4-cyclobutyl-1H-pyrazol-5-amine
CID 86276778
4-(2-methylpropyl)-1H-pyrazol-5-amine
CID 61647149
4-(2,2,2-Trifluoroethyl)-1H-pyrazol-3-amine
CID 21066085
4-(4,4-difluorobutyl)-1H-pyrazole
CID 161882767
4-(5,5,5-trifluoro-1-hydrazinylpentyl)-1H-pyrazol-5-amine
CID 105231133
1-(1H-pyrazol-4-yl)-2-(trifluoromethyl)prop-2-en-1-amine
CID 130573236
1,1,1-trifluoro-3-(1H-pyrazol-4-yl)propan-2-amine
CID 165632743
1,1-difluoro-3-(1H-pyrazol-4-yl)propan-2-amine
CID 165658831
3,3-difluoro-3-(1H-pyrazol-4-yl)propan-1-amine
CID 165701534
2,2-difluoro-3-(3-nitro-1H-pyrazol-4-yl)propan-1-amine
CID 165735939
3,3-difluoro-3-(3-nitro-1H-pyrazol-4-yl)propan-1-amine
CID 165852437

Frequently Asked Questions

What is the IUPAC name of 4-(4,4,4-trifluoro-1-hydrazinylbutyl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(4,4,4-trifluoro-1-hydrazinylbutyl)-1H-pyrazol-5-amine (CID 105231017) is 4-(4,4,4-trifluoro-1-hydrazinylbutyl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(4,4,4-trifluoro-1-hydrazinylbutyl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(4,4,4-trifluoro-1-hydrazinylbutyl)-1H-pyrazol-5-amine is NNC(CCC(F)(F)F)c1cn[nH]c1N.
What is the InChIKey of 4-(4,4,4-trifluoro-1-hydrazinylbutyl)-1H-pyrazol-5-amine?
The InChIKey is AFQXQYAWVXRKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N5/c8-7(9,10)2-1-5(14-12)4-3-13-15-6(4)11/h3,5,14H,1-2,12H2,(H3,11,13,15).
What are the key properties of 4-(4,4,4-trifluoro-1-hydrazinylbutyl)-1H-pyrazol-5-amine?
4-(4,4,4-trifluoro-1-hydrazinylbutyl)-1H-pyrazol-5-amine has a molecular weight of 223.20 g/mol, XLogP of 0.84, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4,4-trifluoro-1-hydrazinylbutyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 105231017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).