5-[methoxy(phenyl)methyl]-1H-pyrazol-3-amine

C11H13N3O — CID 118100561

IUPAC5-[methoxy(phenyl)methyl]-1H-pyrazol-3-amine
SMILESCOC(c1ccccc1)c1cc(N)n[nH]1
InChIInChI=1S/C11H13N3O/c1-15-11(8-5-3-2-4-6-8)9-7-10(12)14-13-9/h2-7,11H,1H3,(H3,12,13,14)
InChIKeyHBPVDKMVXBFOGP-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.73
Rot. Bonds3

About 5-[methoxy(phenyl)methyl]-1H-pyrazol-3-amine

5-[methoxy(phenyl)methyl]-1H-pyrazol-3-amine (PubChem CID 118100561) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 5-[methoxy(phenyl)methyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[methoxy(phenyl)methyl]-1H-pyrazol-3-amine
PubChem CID118100561
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name5-[methoxy(phenyl)methyl]-1H-pyrazol-3-amine
SMILESCOC(c1ccccc1)c1cc(N)n[nH]1
InChIInChI=1S/C11H13N3O/c1-15-11(8-5-3-2-4-6-8)9-7-10(12)14-13-9/h2-7,11H,1H3,(H3,12,13,14)
InChIKeyHBPVDKMVXBFOGP-UHFFFAOYSA-N
XLogP1.73
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[methoxy(phenyl)methyl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[methoxy(phenyl)methyl]-1H-pyrazol-3-amine (CID 118100561) is 5-[methoxy(phenyl)methyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[methoxy(phenyl)methyl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[methoxy(phenyl)methyl]-1H-pyrazol-3-amine is COC(c1ccccc1)c1cc(N)n[nH]1.
What is the InChIKey of 5-[methoxy(phenyl)methyl]-1H-pyrazol-3-amine?
The InChIKey is HBPVDKMVXBFOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-15-11(8-5-3-2-4-6-8)9-7-10(12)14-13-9/h2-7,11H,1H3,(H3,12,13,14).
What are the key properties of 5-[methoxy(phenyl)methyl]-1H-pyrazol-3-amine?
5-[methoxy(phenyl)methyl]-1H-pyrazol-3-amine has a molecular weight of 203.24 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methoxy(phenyl)methyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 118100561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).