1-phenylmethoxypyrazole-3,4-diamine

C10H12N4O — CID 69238371

IUPAC1-phenylmethoxypyrazole-3,4-diamine
SMILESNc1cn(OCc2ccccc2)nc1N
InChIInChI=1S/C10H12N4O/c11-9-6-14(13-10(9)12)15-7-8-4-2-1-3-5-8/h1-6H,7,11H2,(H2,12,13)
InChIKeyGAYVQVURMIUPOV-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.68
Rot. Bonds3

About 1-phenylmethoxypyrazole-3,4-diamine

1-phenylmethoxypyrazole-3,4-diamine (PubChem CID 69238371) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 1-phenylmethoxypyrazole-3,4-diamine.

Molecular Properties

Compound Name1-phenylmethoxypyrazole-3,4-diamine
PubChem CID69238371
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name1-phenylmethoxypyrazole-3,4-diamine
SMILESNc1cn(OCc2ccccc2)nc1N
InChIInChI=1S/C10H12N4O/c11-9-6-14(13-10(9)12)15-7-8-4-2-1-3-5-8/h1-6H,7,11H2,(H2,12,13)
InChIKeyGAYVQVURMIUPOV-UHFFFAOYSA-N
XLogP0.68
TPSA79.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-phenylmethoxypyrazole-3,4-diamine?
The IUPAC name of 1-phenylmethoxypyrazole-3,4-diamine (CID 69238371) is 1-phenylmethoxypyrazole-3,4-diamine.
What is the SMILES notation for 1-phenylmethoxypyrazole-3,4-diamine?
The canonical SMILES for 1-phenylmethoxypyrazole-3,4-diamine is Nc1cn(OCc2ccccc2)nc1N.
What is the InChIKey of 1-phenylmethoxypyrazole-3,4-diamine?
The InChIKey is GAYVQVURMIUPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c11-9-6-14(13-10(9)12)15-7-8-4-2-1-3-5-8/h1-6H,7,11H2,(H2,12,13).
What are the key properties of 1-phenylmethoxypyrazole-3,4-diamine?
1-phenylmethoxypyrazole-3,4-diamine has a molecular weight of 204.23 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylmethoxypyrazole-3,4-diamine is sourced from PubChem (CID 69238371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).