5-[3-(methoxymethyl)phenyl]-1H-pyrazol-4-amine

C11H13N3O — CID 150830906

IUPAC5-[3-(methoxymethyl)phenyl]-1H-pyrazol-4-amine
SMILESCOCc1cccc(-c2[nH]ncc2N)c1
InChIInChI=1S/C11H13N3O/c1-15-7-8-3-2-4-9(5-8)11-10(12)6-13-14-11/h2-6H,7,12H2,1H3,(H,13,14)
InChIKeyKLYHAMHYLBYWSU-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.81
Rot. Bonds3

About 5-[3-(methoxymethyl)phenyl]-1H-pyrazol-4-amine

5-[3-(methoxymethyl)phenyl]-1H-pyrazol-4-amine (PubChem CID 150830906) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 5-[3-(methoxymethyl)phenyl]-1H-pyrazol-4-amine.

Molecular Properties

Compound Name5-[3-(methoxymethyl)phenyl]-1H-pyrazol-4-amine
PubChem CID150830906
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name5-[3-(methoxymethyl)phenyl]-1H-pyrazol-4-amine
SMILESCOCc1cccc(-c2[nH]ncc2N)c1
InChIInChI=1S/C11H13N3O/c1-15-7-8-3-2-4-9(5-8)11-10(12)6-13-14-11/h2-6H,7,12H2,1H3,(H,13,14)
InChIKeyKLYHAMHYLBYWSU-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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[3-[3-(methoxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
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2-[3-(methoxymethyl)phenyl]triazol-4-amine
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5-(4-propan-2-yloxyphenyl)-1H-pyrazol-4-amine
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5-(2-methoxyphenyl)-1H-pyrazol-4-amine;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 5-[3-(methoxymethyl)phenyl]-1H-pyrazol-4-amine?
The IUPAC name of 5-[3-(methoxymethyl)phenyl]-1H-pyrazol-4-amine (CID 150830906) is 5-[3-(methoxymethyl)phenyl]-1H-pyrazol-4-amine.
What is the SMILES notation for 5-[3-(methoxymethyl)phenyl]-1H-pyrazol-4-amine?
The canonical SMILES for 5-[3-(methoxymethyl)phenyl]-1H-pyrazol-4-amine is COCc1cccc(-c2[nH]ncc2N)c1.
What is the InChIKey of 5-[3-(methoxymethyl)phenyl]-1H-pyrazol-4-amine?
The InChIKey is KLYHAMHYLBYWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-15-7-8-3-2-4-9(5-8)11-10(12)6-13-14-11/h2-6H,7,12H2,1H3,(H,13,14).
What are the key properties of 5-[3-(methoxymethyl)phenyl]-1H-pyrazol-4-amine?
5-[3-(methoxymethyl)phenyl]-1H-pyrazol-4-amine has a molecular weight of 203.24 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(methoxymethyl)phenyl]-1H-pyrazol-4-amine is sourced from PubChem (CID 150830906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).