[5-methyl-6-(4-phenylpyrazol-1-yl)pyrimidin-4-yl]hydrazine

C14H14N6 — CID 80901558

IUPAC[5-methyl-6-(4-phenylpyrazol-1-yl)pyrimidin-4-yl]hydrazine
SMILESCc1c(NN)ncnc1-n1cc(-c2ccccc2)cn1
InChIInChI=1S/C14H14N6/c1-10-13(19-15)16-9-17-14(10)20-8-12(7-18-20)11-5-3-2-4-6-11/h2-9H,15H2,1H3,(H,16,17,19)
InChIKeyGTUQMVPTENZZSA-UHFFFAOYSA-N
MW266.31 g/mol
LogP1.92
Rot. Bonds3

About [5-methyl-6-(4-phenylpyrazol-1-yl)pyrimidin-4-yl]hydrazine

[5-methyl-6-(4-phenylpyrazol-1-yl)pyrimidin-4-yl]hydrazine (PubChem CID 80901558) has the molecular formula C14H14N6 and a molecular weight of 266.31 g/mol. Its IUPAC name is [5-methyl-6-(4-phenylpyrazol-1-yl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[5-methyl-6-(4-phenylpyrazol-1-yl)pyrimidin-4-yl]hydrazine
PubChem CID80901558
Molecular FormulaC14H14N6
Molecular Weight266.31 g/mol
Exact Mass266.13
IUPAC Name[5-methyl-6-(4-phenylpyrazol-1-yl)pyrimidin-4-yl]hydrazine
SMILESCc1c(NN)ncnc1-n1cc(-c2ccccc2)cn1
InChIInChI=1S/C14H14N6/c1-10-13(19-15)16-9-17-14(10)20-8-12(7-18-20)11-5-3-2-4-6-11/h2-9H,15H2,1H3,(H,16,17,19)
InChIKeyGTUQMVPTENZZSA-UHFFFAOYSA-N
XLogP1.92
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 51.92
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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Frequently Asked Questions

What is the IUPAC name of [5-methyl-6-(4-phenylpyrazol-1-yl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [5-methyl-6-(4-phenylpyrazol-1-yl)pyrimidin-4-yl]hydrazine (CID 80901558) is [5-methyl-6-(4-phenylpyrazol-1-yl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [5-methyl-6-(4-phenylpyrazol-1-yl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [5-methyl-6-(4-phenylpyrazol-1-yl)pyrimidin-4-yl]hydrazine is Cc1c(NN)ncnc1-n1cc(-c2ccccc2)cn1.
What is the InChIKey of [5-methyl-6-(4-phenylpyrazol-1-yl)pyrimidin-4-yl]hydrazine?
The InChIKey is GTUQMVPTENZZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6/c1-10-13(19-15)16-9-17-14(10)20-8-12(7-18-20)11-5-3-2-4-6-11/h2-9H,15H2,1H3,(H,16,17,19).
What are the key properties of [5-methyl-6-(4-phenylpyrazol-1-yl)pyrimidin-4-yl]hydrazine?
[5-methyl-6-(4-phenylpyrazol-1-yl)pyrimidin-4-yl]hydrazine has a molecular weight of 266.31 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-6-(4-phenylpyrazol-1-yl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80901558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).