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

C12H15N3O2 — CID 117338097

IUPAC5-[4-methoxy-3-(methoxymethyl)phenyl]-1H-pyrazol-3-amine
SMILESCOCc1cc(-c2cc(N)n[nH]2)ccc1OC
InChIInChI=1S/C12H15N3O2/c1-16-7-9-5-8(3-4-11(9)17-2)10-6-12(13)15-14-10/h3-6H,7H2,1-2H3,(H3,13,14,15)
InChIKeyRIDCBJPYEAQMFC-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.81
Rot. Bonds4

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

5-[4-methoxy-3-(methoxymethyl)phenyl]-1H-pyrazol-3-amine (PubChem CID 117338097) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 5-[4-methoxy-3-(methoxymethyl)phenyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[4-methoxy-3-(methoxymethyl)phenyl]-1H-pyrazol-3-amine
PubChem CID117338097
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name5-[4-methoxy-3-(methoxymethyl)phenyl]-1H-pyrazol-3-amine
SMILESCOCc1cc(-c2cc(N)n[nH]2)ccc1OC
InChIInChI=1S/C12H15N3O2/c1-16-7-9-5-8(3-4-11(9)17-2)10-6-12(13)15-14-10/h3-6H,7H2,1-2H3,(H3,13,14,15)
InChIKeyRIDCBJPYEAQMFC-UHFFFAOYSA-N
XLogP1.81
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-1H-pyrazol-3-amine
CID 117412509
5-(3-bromo-4-methoxyphenyl)-1H-pyrazol-3-amine
CID 3614347
5-(3-amino-1H-pyrazol-5-yl)-2-methoxyphenol
CID 130019057
5-(4-ethoxy-3-methoxyphenyl)-1H-pyrazol-3-amine
CID 3480116
5-[4,5-dimethoxy-2-(methoxymethyl)phenyl]-1H-pyrazol-3-amine
CID 117412508
5-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-1H-pyrazol-3-amine
CID 117465926
5-[5-chloro-4-methoxy-2-(methoxymethyl)phenyl]-1H-pyrazol-3-amine
CID 117422695
5-[3-methoxy-4-(thiolan-3-yloxy)phenyl]-1H-pyrazol-3-amine
CID 117470678
5-[4-(2-methoxyethyl)phenyl]-1H-pyrazol-3-amine
CID 117309554
5-[2,3-difluoro-4-(methoxymethyl)phenyl]-1H-pyrazol-3-amine
CID 117350141
5-(3-ethyl-4-methoxyphenyl)-N-methyl-1H-pyrazol-3-amine
CID 116827233
5-(2-bromo-3-methoxy-6-methylphenyl)-1H-pyrazol-3-amine
CID 117453081

Frequently Asked Questions

What is the IUPAC name of 5-[4-methoxy-3-(methoxymethyl)phenyl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[4-methoxy-3-(methoxymethyl)phenyl]-1H-pyrazol-3-amine (CID 117338097) is 5-[4-methoxy-3-(methoxymethyl)phenyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[4-methoxy-3-(methoxymethyl)phenyl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[4-methoxy-3-(methoxymethyl)phenyl]-1H-pyrazol-3-amine is COCc1cc(-c2cc(N)n[nH]2)ccc1OC.
What is the InChIKey of 5-[4-methoxy-3-(methoxymethyl)phenyl]-1H-pyrazol-3-amine?
The InChIKey is RIDCBJPYEAQMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-16-7-9-5-8(3-4-11(9)17-2)10-6-12(13)15-14-10/h3-6H,7H2,1-2H3,(H3,13,14,15).
What are the key properties of 5-[4-methoxy-3-(methoxymethyl)phenyl]-1H-pyrazol-3-amine?
5-[4-methoxy-3-(methoxymethyl)phenyl]-1H-pyrazol-3-amine has a molecular weight of 233.27 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-methoxy-3-(methoxymethyl)phenyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 117338097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).