5-(2-methoxy-3,4,6-trimethylphenyl)-1H-pyrazol-3-amine

C13H17N3O — CID 115111588

IUPAC5-(2-methoxy-3,4,6-trimethylphenyl)-1H-pyrazol-3-amine
SMILESCOc1c(C)c(C)cc(C)c1-c1cc(N)n[nH]1
InChIInChI=1S/C13H17N3O/c1-7-5-8(2)12(13(17-4)9(7)3)10-6-11(14)16-15-10/h5-6H,1-4H3,(H3,14,15,16)
InChIKeyOOUPAMBIBWTWSF-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.59
Rot. Bonds2

About 5-(2-methoxy-3,4,6-trimethylphenyl)-1H-pyrazol-3-amine

5-(2-methoxy-3,4,6-trimethylphenyl)-1H-pyrazol-3-amine (PubChem CID 115111588) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 5-(2-methoxy-3,4,6-trimethylphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(2-methoxy-3,4,6-trimethylphenyl)-1H-pyrazol-3-amine
PubChem CID115111588
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name5-(2-methoxy-3,4,6-trimethylphenyl)-1H-pyrazol-3-amine
SMILESCOc1c(C)c(C)cc(C)c1-c1cc(N)n[nH]1
InChIInChI=1S/C13H17N3O/c1-7-5-8(2)12(13(17-4)9(7)3)10-6-11(14)16-15-10/h5-6H,1-4H3,(H3,14,15,16)
InChIKeyOOUPAMBIBWTWSF-UHFFFAOYSA-N
XLogP2.59
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-3,4,6-trimethylphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(2-methoxy-3,4,6-trimethylphenyl)-1H-pyrazol-3-amine (CID 115111588) is 5-(2-methoxy-3,4,6-trimethylphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(2-methoxy-3,4,6-trimethylphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(2-methoxy-3,4,6-trimethylphenyl)-1H-pyrazol-3-amine is COc1c(C)c(C)cc(C)c1-c1cc(N)n[nH]1.
What is the InChIKey of 5-(2-methoxy-3,4,6-trimethylphenyl)-1H-pyrazol-3-amine?
The InChIKey is OOUPAMBIBWTWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-7-5-8(2)12(13(17-4)9(7)3)10-6-11(14)16-15-10/h5-6H,1-4H3,(H3,14,15,16).
What are the key properties of 5-(2-methoxy-3,4,6-trimethylphenyl)-1H-pyrazol-3-amine?
5-(2-methoxy-3,4,6-trimethylphenyl)-1H-pyrazol-3-amine has a molecular weight of 231.30 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxy-3,4,6-trimethylphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 115111588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).