(1-methylpyrazol-4-yl)hydrazine;2,2,2-trifluoroacetic acid

C6H9F3N4O2 — CID 135303812

IUPAC(1-methylpyrazol-4-yl)hydrazine;2,2,2-trifluoroacetic acid
SMILESCn1cc(NN)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C4H8N4.C2HF3O2/c1-8-3-4(7-5)2-6-8;3-2(4,5)1(6)7/h2-3,7H,5H2,1H3;(H,6,7)
InChIKeyBNHPVZOMPZXQDW-UHFFFAOYSA-N
MW226.16 g/mol
LogP0.34
Rot. Bonds1

About (1-methylpyrazol-4-yl)hydrazine;2,2,2-trifluoroacetic acid

(1-methylpyrazol-4-yl)hydrazine;2,2,2-trifluoroacetic acid (PubChem CID 135303812) has the molecular formula C6H9F3N4O2 and a molecular weight of 226.16 g/mol. Its IUPAC name is (1-methylpyrazol-4-yl)hydrazine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(1-methylpyrazol-4-yl)hydrazine;2,2,2-trifluoroacetic acid
PubChem CID135303812
Molecular FormulaC6H9F3N4O2
Molecular Weight226.16 g/mol
Exact Mass226.07
IUPAC Name(1-methylpyrazol-4-yl)hydrazine;2,2,2-trifluoroacetic acid
SMILESCn1cc(NN)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C4H8N4.C2HF3O2/c1-8-3-4(7-5)2-6-8;3-2(4,5)1(6)7/h2-3,7H,5H2,1H3;(H,6,7)
InChIKeyBNHPVZOMPZXQDW-UHFFFAOYSA-N
XLogP0.34
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.16
LogP ≤ 50.34
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'}

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Related Compounds

(1-methylpyrazol-4-yl)hydrazine;hydrochloride
CID 154730377
1-methyl-N-(1-methylpyrazol-4-yl)piperidin-4-amine;2,2,2-trifluoroacetic acid
CID 155225318
2-methyl-N-(1-methylpyrazol-4-yl)-2-azaspiro[3.3]heptan-6-amine;2,2,2-trifluoroacetic acid
CID 155225138
1-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazol-4-amine;2,2,2-trifluoroacetic acid
CID 155225186
2-amino-3,3,3-trifluoro-2-methyl-N-(1-methylpyrazol-4-yl)propanamide
CID 79797778
N-(2,2-dimethyloxan-4-yl)-1-methylpyrazol-4-amine;2,2,2-trifluoroacetic acid
CID 155225215
4,4,4-trifluoro-N-(1-methylpyrazol-4-yl)butanamide
CID 155981643
3-amino-2,2,3-trimethyl-N-(1-methylpyrazol-4-yl)butanamide
CID 65264942
2,3-dimethyl-4-[(1-methylpyrazol-4-yl)amino]-4-oxobut-2-enoic acid
CID 76991406
3-[(1-methylpyrazol-4-yl)amino]propanamide
CID 79770849
phenylhydrazine;bis(2,2,2-trifluoroacetic acid)
CID 162301576
3,3-dimethyl-2-[(1-methylpyrazol-4-yl)amino]butanoic acid
CID 127020438

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-4-yl)hydrazine;2,2,2-trifluoroacetic acid?
The IUPAC name of (1-methylpyrazol-4-yl)hydrazine;2,2,2-trifluoroacetic acid (CID 135303812) is (1-methylpyrazol-4-yl)hydrazine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (1-methylpyrazol-4-yl)hydrazine;2,2,2-trifluoroacetic acid?
The canonical SMILES for (1-methylpyrazol-4-yl)hydrazine;2,2,2-trifluoroacetic acid is Cn1cc(NN)cn1.O=C(O)C(F)(F)F.
What is the InChIKey of (1-methylpyrazol-4-yl)hydrazine;2,2,2-trifluoroacetic acid?
The InChIKey is BNHPVZOMPZXQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4.C2HF3O2/c1-8-3-4(7-5)2-6-8;3-2(4,5)1(6)7/h2-3,7H,5H2,1H3;(H,6,7).
What are the key properties of (1-methylpyrazol-4-yl)hydrazine;2,2,2-trifluoroacetic acid?
(1-methylpyrazol-4-yl)hydrazine;2,2,2-trifluoroacetic acid has a molecular weight of 226.16 g/mol, XLogP of 0.34, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-4-yl)hydrazine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 135303812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).