[4-[3-(trifluoromethyl)pyrazol-1-yl]quinazolin-2-yl]hydrazine

C12H9F3N6 — CID 80902116

IUPAC[4-[3-(trifluoromethyl)pyrazol-1-yl]quinazolin-2-yl]hydrazine
SMILESNNc1nc(-n2ccc(C(F)(F)F)n2)c2ccccc2n1
InChIInChI=1S/C12H9F3N6/c13-12(14,15)9-5-6-21(20-9)10-7-3-1-2-4-8(7)17-11(18-10)19-16/h1-6H,16H2,(H,17,18,19)
InChIKeyMWJYRPBHVMNJPK-UHFFFAOYSA-N
MW294.24 g/mol
LogP2.12
Rot. Bonds2

About [4-[3-(trifluoromethyl)pyrazol-1-yl]quinazolin-2-yl]hydrazine

[4-[3-(trifluoromethyl)pyrazol-1-yl]quinazolin-2-yl]hydrazine (PubChem CID 80902116) has the molecular formula C12H9F3N6 and a molecular weight of 294.24 g/mol. Its IUPAC name is [4-[3-(trifluoromethyl)pyrazol-1-yl]quinazolin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-[3-(trifluoromethyl)pyrazol-1-yl]quinazolin-2-yl]hydrazine
PubChem CID80902116
Molecular FormulaC12H9F3N6
Molecular Weight294.24 g/mol
Exact Mass294.08
IUPAC Name[4-[3-(trifluoromethyl)pyrazol-1-yl]quinazolin-2-yl]hydrazine
SMILESNNc1nc(-n2ccc(C(F)(F)F)n2)c2ccccc2n1
InChIInChI=1S/C12H9F3N6/c13-12(14,15)9-5-6-21(20-9)10-7-3-1-2-4-8(7)17-11(18-10)19-16/h1-6H,16H2,(H,17,18,19)
InChIKeyMWJYRPBHVMNJPK-UHFFFAOYSA-N
XLogP2.12
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.24
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(3-propan-2-ylpyrazol-1-yl)quinazolin-2-yl]hydrazine
CID 80901736
[5-fluoro-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]hydrazine
CID 80899957
[4-(1,3-dihydroisoindol-2-yl)quinazolin-2-yl]hydrazine
CID 80902799
[4-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]hydrazine
CID 80901191
4-hydrazinyl-N,N-dimethyl-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazin-2-amine
CID 80901888
1-chloro-4-[3-(trifluoromethyl)pyrazol-1-yl]phthalazine
CID 62140435
2-(chloromethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]quinoline
CID 63375402
[4-(4,5-dimethylimidazol-1-yl)quinazolin-2-yl]hydrazine
CID 80900540
[4-(4-cyclopropylpiperazin-1-yl)quinazolin-2-yl]hydrazine
CID 80900421
[4-(3,4-dimethoxypyrrolidin-1-yl)quinazolin-2-yl]hydrazine
CID 103542119
N-methyl-4-pyrazol-1-ylquinazolin-2-amine
CID 80854215
[4-(3,4-dimethylpiperazin-1-yl)quinazolin-2-yl]hydrazine
CID 80909446

Frequently Asked Questions

What is the IUPAC name of [4-[3-(trifluoromethyl)pyrazol-1-yl]quinazolin-2-yl]hydrazine?
The IUPAC name of [4-[3-(trifluoromethyl)pyrazol-1-yl]quinazolin-2-yl]hydrazine (CID 80902116) is [4-[3-(trifluoromethyl)pyrazol-1-yl]quinazolin-2-yl]hydrazine.
What is the SMILES notation for [4-[3-(trifluoromethyl)pyrazol-1-yl]quinazolin-2-yl]hydrazine?
The canonical SMILES for [4-[3-(trifluoromethyl)pyrazol-1-yl]quinazolin-2-yl]hydrazine is NNc1nc(-n2ccc(C(F)(F)F)n2)c2ccccc2n1.
What is the InChIKey of [4-[3-(trifluoromethyl)pyrazol-1-yl]quinazolin-2-yl]hydrazine?
The InChIKey is MWJYRPBHVMNJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N6/c13-12(14,15)9-5-6-21(20-9)10-7-3-1-2-4-8(7)17-11(18-10)19-16/h1-6H,16H2,(H,17,18,19).
What are the key properties of [4-[3-(trifluoromethyl)pyrazol-1-yl]quinazolin-2-yl]hydrazine?
[4-[3-(trifluoromethyl)pyrazol-1-yl]quinazolin-2-yl]hydrazine has a molecular weight of 294.24 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(trifluoromethyl)pyrazol-1-yl]quinazolin-2-yl]hydrazine is sourced from PubChem (CID 80902116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).