4-ethanehydrazonoyl-5-methyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine

C13H14F3N5 — CID 135529722

IUPAC4-ethanehydrazonoyl-5-methyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine
SMILESC/C(=N\N)c1c(Nc2ccc(C(F)(F)F)cc2)n[nH]c1C
InChIInChI=1S/C13H14F3N5/c1-7(19-17)11-8(2)20-21-12(11)18-10-5-3-9(4-6-10)13(14,15)16/h3-6H,17H2,1-2H3,(H2,18,20,21)/b19-7+
InChIKeyFBCZLSZPAYMOFI-FBCYGCLPSA-N
MW297.28 g/mol
LogP3.16
Rot. Bonds3

About 4-ethanehydrazonoyl-5-methyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine

4-ethanehydrazonoyl-5-methyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine (PubChem CID 135529722) has the molecular formula C13H14F3N5 and a molecular weight of 297.28 g/mol. Its IUPAC name is 4-ethanehydrazonoyl-5-methyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-ethanehydrazonoyl-5-methyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine
PubChem CID135529722
Molecular FormulaC13H14F3N5
Molecular Weight297.28 g/mol
Exact Mass297.12
IUPAC Name4-ethanehydrazonoyl-5-methyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine
SMILESC/C(=N\N)c1c(Nc2ccc(C(F)(F)F)cc2)n[nH]c1C
InChIInChI=1S/C13H14F3N5/c1-7(19-17)11-8(2)20-21-12(11)18-10-5-3-9(4-6-10)13(14,15)16/h3-6H,17H2,1-2H3,(H2,18,20,21)/b19-7+
InChIKeyFBCZLSZPAYMOFI-FBCYGCLPSA-N
XLogP3.16
TPSA79.09 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethanehydrazonoyl-5-methyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine?
The IUPAC name of 4-ethanehydrazonoyl-5-methyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine (CID 135529722) is 4-ethanehydrazonoyl-5-methyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 4-ethanehydrazonoyl-5-methyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine?
The canonical SMILES for 4-ethanehydrazonoyl-5-methyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine is C/C(=N\N)c1c(Nc2ccc(C(F)(F)F)cc2)n[nH]c1C.
What is the InChIKey of 4-ethanehydrazonoyl-5-methyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine?
The InChIKey is FBCZLSZPAYMOFI-FBCYGCLPSA-N. The full InChI is InChI=1S/C13H14F3N5/c1-7(19-17)11-8(2)20-21-12(11)18-10-5-3-9(4-6-10)13(14,15)16/h3-6H,17H2,1-2H3,(H2,18,20,21)/b19-7+.
What are the key properties of 4-ethanehydrazonoyl-5-methyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine?
4-ethanehydrazonoyl-5-methyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine has a molecular weight of 297.28 g/mol, XLogP of 3.16, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethanehydrazonoyl-5-methyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 135529722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).