1-(2-methoxy-5-methylphenyl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine

C13H17N3O — CID 114991164

IUPAC1-(2-methoxy-5-methylphenyl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine
SMILESCNC(c1ccn[nH]1)c1cc(C)ccc1OC
InChIInChI=1S/C13H17N3O/c1-9-4-5-12(17-3)10(8-9)13(14-2)11-6-7-15-16-11/h4-8,13-14H,1-3H3,(H,15,16)
InChIKeyIURQODQJWDWENQ-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.04
Rot. Bonds4

About 1-(2-methoxy-5-methylphenyl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine

1-(2-methoxy-5-methylphenyl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine (PubChem CID 114991164) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine
PubChem CID114991164
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1-(2-methoxy-5-methylphenyl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine
SMILESCNC(c1ccn[nH]1)c1cc(C)ccc1OC
InChIInChI=1S/C13H17N3O/c1-9-4-5-12(17-3)10(8-9)13(14-2)11-6-7-15-16-11/h4-8,13-14H,1-3H3,(H,15,16)
InChIKeyIURQODQJWDWENQ-UHFFFAOYSA-N
XLogP2.04
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2-methoxy-5-methylphenyl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methoxy-2-methylphenyl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine
CID 114991158
1-(2-methoxy-5-methylphenyl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine
CID 43626284
1-(2-ethyl-5-methylpyrazol-3-yl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine
CID 105144094
1-(2-methoxy-5-methylphenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
CID 105022947
1-(3-ethyl-2-pyridinyl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine
CID 82729981
1-(furan-2-yl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine
CID 43626241
1-(2-methoxy-5-methylphenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 105047026
1-(2-bromo-3-methylphenyl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine
CID 107981976
1-(5-bromo-2-methoxyphenyl)-1-(2,5-dimethylphenyl)-N-methylmethanamine
CID 43480052
1-(5-bromo-2-methoxyphenyl)-1-(2-bromo-5-methylphenyl)-N-methylmethanamine
CID 81110564
1-(1-benzofuran-2-yl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine
CID 63089905
1-(2-methoxy-5-methylphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 65195113

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine (CID 114991164) is 1-(2-methoxy-5-methylphenyl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine is CNC(c1ccn[nH]1)c1cc(C)ccc1OC.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine?
The InChIKey is IURQODQJWDWENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9-4-5-12(17-3)10(8-9)13(14-2)11-6-7-15-16-11/h4-8,13-14H,1-3H3,(H,15,16).
What are the key properties of 1-(2-methoxy-5-methylphenyl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine?
1-(2-methoxy-5-methylphenyl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine has a molecular weight of 231.30 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine is sourced from PubChem (CID 114991164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).