1-phenylmethoxypyrazol-3-amine

C10H11N3O — CID 141134943

IUPAC1-phenylmethoxypyrazol-3-amine
SMILESNc1ccn(OCc2ccccc2)n1
InChIInChI=1S/C10H11N3O/c11-10-6-7-13(12-10)14-8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,11,12)
InChIKeyYEXDJLQDAFNEMO-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.09
Rot. Bonds3

About 1-phenylmethoxypyrazol-3-amine

1-phenylmethoxypyrazol-3-amine (PubChem CID 141134943) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 1-phenylmethoxypyrazol-3-amine.

Molecular Properties

Compound Name1-phenylmethoxypyrazol-3-amine
PubChem CID141134943
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name1-phenylmethoxypyrazol-3-amine
SMILESNc1ccn(OCc2ccccc2)n1
InChIInChI=1S/C10H11N3O/c11-10-6-7-13(12-10)14-8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,11,12)
InChIKeyYEXDJLQDAFNEMO-UHFFFAOYSA-N
XLogP1.09
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-phenylmethoxypyrazol-3-amine?
The IUPAC name of 1-phenylmethoxypyrazol-3-amine (CID 141134943) is 1-phenylmethoxypyrazol-3-amine.
What is the SMILES notation for 1-phenylmethoxypyrazol-3-amine?
The canonical SMILES for 1-phenylmethoxypyrazol-3-amine is Nc1ccn(OCc2ccccc2)n1.
What is the InChIKey of 1-phenylmethoxypyrazol-3-amine?
The InChIKey is YEXDJLQDAFNEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c11-10-6-7-13(12-10)14-8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,11,12).
What are the key properties of 1-phenylmethoxypyrazol-3-amine?
1-phenylmethoxypyrazol-3-amine has a molecular weight of 189.22 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylmethoxypyrazol-3-amine is sourced from PubChem (CID 141134943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).