1-(4-methoxy-2-methylphenyl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine

C13H17N3O — CID 114991158

IUPAC1-(4-methoxy-2-methylphenyl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine
SMILESCNC(c1ccn[nH]1)c1ccc(OC)cc1C
InChIInChI=1S/C13H17N3O/c1-9-8-10(17-3)4-5-11(9)13(14-2)12-6-7-15-16-12/h4-8,13-14H,1-3H3,(H,15,16)
InChIKeyDUUUTAUNJODBRK-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.04
Rot. Bonds4

About 1-(4-methoxy-2-methylphenyl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine

1-(4-methoxy-2-methylphenyl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine (PubChem CID 114991158) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-(4-methoxy-2-methylphenyl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine.

Molecular Properties

Compound Name1-(4-methoxy-2-methylphenyl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine
PubChem CID114991158
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1-(4-methoxy-2-methylphenyl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine
SMILESCNC(c1ccn[nH]1)c1ccc(OC)cc1C
InChIInChI=1S/C13H17N3O/c1-9-8-10(17-3)4-5-11(9)13(14-2)12-6-7-15-16-12/h4-8,13-14H,1-3H3,(H,15,16)
InChIKeyDUUUTAUNJODBRK-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

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Related Compounds

1-(2-methoxy-5-methylphenyl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine
CID 114991164
1-(4-methoxy-2-methylphenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
CID 114878225
1-(2,4-difluorophenyl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine
CID 82237939
1-(4-methoxy-2-methylphenyl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 81127903
1-(furan-2-yl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 43482730
1-(2,5-dichlorophenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 43482843
1-(2,6-difluoro-3-methylphenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 82797199
1-(3-chloro-4-methylphenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 63194536
1-(2-bromo-5-methylphenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 81110285
1-(4-methoxy-2-methylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine
CID 105115184
1-(4-methoxy-2-methylphenyl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 105115555
1-(5-bromo-3-pyridinyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 43482761

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2-methylphenyl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine?
The IUPAC name of 1-(4-methoxy-2-methylphenyl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine (CID 114991158) is 1-(4-methoxy-2-methylphenyl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine.
What is the SMILES notation for 1-(4-methoxy-2-methylphenyl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine?
The canonical SMILES for 1-(4-methoxy-2-methylphenyl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine is CNC(c1ccn[nH]1)c1ccc(OC)cc1C.
What is the InChIKey of 1-(4-methoxy-2-methylphenyl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine?
The InChIKey is DUUUTAUNJODBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9-8-10(17-3)4-5-11(9)13(14-2)12-6-7-15-16-12/h4-8,13-14H,1-3H3,(H,15,16).
What are the key properties of 1-(4-methoxy-2-methylphenyl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine?
1-(4-methoxy-2-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-(4-methoxy-2-methylphenyl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine is sourced from PubChem (CID 114991158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).