4-[3-(trifluoromethyl)pyrazol-1-yl]butanehydrazide

C8H11F3N4O — CID 63579585

IUPAC4-[3-(trifluoromethyl)pyrazol-1-yl]butanehydrazide
SMILESNNC(=O)CCCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C8H11F3N4O/c9-8(10,11)6-3-5-15(14-6)4-1-2-7(16)13-12/h3,5H,1-2,4,12H2,(H,13,16)
InChIKeyMOMYMIBKFZDULB-UHFFFAOYSA-N
MW236.20 g/mol
LogP0.67
Rot. Bonds4

About 4-[3-(trifluoromethyl)pyrazol-1-yl]butanehydrazide

4-[3-(trifluoromethyl)pyrazol-1-yl]butanehydrazide (PubChem CID 63579585) has the molecular formula C8H11F3N4O and a molecular weight of 236.20 g/mol. Its IUPAC name is 4-[3-(trifluoromethyl)pyrazol-1-yl]butanehydrazide.

Molecular Properties

Compound Name4-[3-(trifluoromethyl)pyrazol-1-yl]butanehydrazide
PubChem CID63579585
Molecular FormulaC8H11F3N4O
Molecular Weight236.20 g/mol
Exact Mass236.09
IUPAC Name4-[3-(trifluoromethyl)pyrazol-1-yl]butanehydrazide
SMILESNNC(=O)CCCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C8H11F3N4O/c9-8(10,11)6-3-5-15(14-6)4-1-2-7(16)13-12/h3,5H,1-2,4,12H2,(H,13,16)
InChIKeyMOMYMIBKFZDULB-UHFFFAOYSA-N
XLogP0.67
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-3-one
CID 106801647
2-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]acetohydrazide
CID 105352183
1-(4-hydrazinyl-4-oxobutyl)pyrazole-3-carboxamide
CID 64777594
3-[3-(trifluoromethyl)pyrazol-1-yl]propanoic acid
CID 19576809
2-[2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]acetohydrazide
CID 115465587
2-chloro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide
CID 166407431
2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 2809216
methyl 2-amino-4-[3-(trifluoromethyl)pyrazol-1-yl]butanoate
CID 63039948
2,2-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide
CID 90588530
N-(2,2,2-trifluoroethoxy)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 81341056
N,N-dimethyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-1-amine
CID 114526778
6-[3-(trifluoromethyl)pyrazol-1-yl]hexan-3-ol
CID 106802540

Frequently Asked Questions

What is the IUPAC name of 4-[3-(trifluoromethyl)pyrazol-1-yl]butanehydrazide?
The IUPAC name of 4-[3-(trifluoromethyl)pyrazol-1-yl]butanehydrazide (CID 63579585) is 4-[3-(trifluoromethyl)pyrazol-1-yl]butanehydrazide.
What is the SMILES notation for 4-[3-(trifluoromethyl)pyrazol-1-yl]butanehydrazide?
The canonical SMILES for 4-[3-(trifluoromethyl)pyrazol-1-yl]butanehydrazide is NNC(=O)CCCn1ccc(C(F)(F)F)n1.
What is the InChIKey of 4-[3-(trifluoromethyl)pyrazol-1-yl]butanehydrazide?
The InChIKey is MOMYMIBKFZDULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O/c9-8(10,11)6-3-5-15(14-6)4-1-2-7(16)13-12/h3,5H,1-2,4,12H2,(H,13,16).
What are the key properties of 4-[3-(trifluoromethyl)pyrazol-1-yl]butanehydrazide?
4-[3-(trifluoromethyl)pyrazol-1-yl]butanehydrazide has a molecular weight of 236.20 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(trifluoromethyl)pyrazol-1-yl]butanehydrazide is sourced from PubChem (CID 63579585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).