5-(2-methoxy-3,5-dimethylphenyl)-N-methyl-1H-pyrazol-3-amine

C13H17N3O — CID 116827245

IUPAC5-(2-methoxy-3,5-dimethylphenyl)-N-methyl-1H-pyrazol-3-amine
SMILESCNc1cc(-c2cc(C)cc(C)c2OC)[nH]n1
InChIInChI=1S/C13H17N3O/c1-8-5-9(2)13(17-4)10(6-8)11-7-12(14-3)16-15-11/h5-7H,1-4H3,(H2,14,15,16)
InChIKeyHYPAVFINTMHAHZ-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.74
Rot. Bonds3

About 5-(2-methoxy-3,5-dimethylphenyl)-N-methyl-1H-pyrazol-3-amine

5-(2-methoxy-3,5-dimethylphenyl)-N-methyl-1H-pyrazol-3-amine (PubChem CID 116827245) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 5-(2-methoxy-3,5-dimethylphenyl)-N-methyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(2-methoxy-3,5-dimethylphenyl)-N-methyl-1H-pyrazol-3-amine
PubChem CID116827245
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name5-(2-methoxy-3,5-dimethylphenyl)-N-methyl-1H-pyrazol-3-amine
SMILESCNc1cc(-c2cc(C)cc(C)c2OC)[nH]n1
InChIInChI=1S/C13H17N3O/c1-8-5-9(2)13(17-4)10(6-8)11-7-12(14-3)16-15-11/h5-7H,1-4H3,(H2,14,15,16)
InChIKeyHYPAVFINTMHAHZ-UHFFFAOYSA-N
XLogP2.74
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-5-(2-methoxy-3,5-dimethylphenyl)-1H-pyrazol-3-amine
CID 116827337
N-methyl-5-(2-methylphenyl)-1H-pyrazol-3-amine
CID 54595204
5-(2,5-difluoro-4-methoxyphenyl)-N-methyl-1H-pyrazol-3-amine
CID 116827288
4-(2-methoxy-3,5-dimethylphenyl)-N-methylaniline
CID 116962482
4-(2-methoxy-3,5-dimethylphenyl)-2-methylpyrimidine
CID 116903911
5-(2-methoxy-3,5-dimethylphenyl)-2-methyl-1H-pyrrole-3-carbonitrile
CID 116828138
2-chloro-4-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazole
CID 116968103
N-methyl-5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-3-amine
CID 116827257
5-(2-methoxy-3,5-dimethylphenyl)-3-methyl-1,2-oxazole
CID 116868943
ethane;2-methoxy-1,3,5-trimethylbenzene
CID 142174927
1-[5-(2-methoxy-3,5-dimethylphenyl)-1H-imidazol-2-yl]propan-2-one
CID 116880808
N-methyl-5-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazol-3-amine
CID 112545541

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-3,5-dimethylphenyl)-N-methyl-1H-pyrazol-3-amine?
The IUPAC name of 5-(2-methoxy-3,5-dimethylphenyl)-N-methyl-1H-pyrazol-3-amine (CID 116827245) is 5-(2-methoxy-3,5-dimethylphenyl)-N-methyl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(2-methoxy-3,5-dimethylphenyl)-N-methyl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(2-methoxy-3,5-dimethylphenyl)-N-methyl-1H-pyrazol-3-amine is CNc1cc(-c2cc(C)cc(C)c2OC)[nH]n1.
What is the InChIKey of 5-(2-methoxy-3,5-dimethylphenyl)-N-methyl-1H-pyrazol-3-amine?
The InChIKey is HYPAVFINTMHAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-8-5-9(2)13(17-4)10(6-8)11-7-12(14-3)16-15-11/h5-7H,1-4H3,(H2,14,15,16).
What are the key properties of 5-(2-methoxy-3,5-dimethylphenyl)-N-methyl-1H-pyrazol-3-amine?
5-(2-methoxy-3,5-dimethylphenyl)-N-methyl-1H-pyrazol-3-amine has a molecular weight of 231.30 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxy-3,5-dimethylphenyl)-N-methyl-1H-pyrazol-3-amine is sourced from PubChem (CID 116827245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).