3-(2-methoxy-4,5-dimethylphenyl)-N,5-dimethyl-1H-pyrazol-4-amine

C14H19N3O — CID 116826932

IUPAC3-(2-methoxy-4,5-dimethylphenyl)-N,5-dimethyl-1H-pyrazol-4-amine
SMILESCNc1c(-c2cc(C)c(C)cc2OC)n[nH]c1C
InChIInChI=1S/C14H19N3O/c1-8-6-11(12(18-5)7-9(8)2)14-13(15-4)10(3)16-17-14/h6-7,15H,1-5H3,(H,16,17)
InChIKeyYKIJDAXUGIHSII-UHFFFAOYSA-N
MW245.33 g/mol
LogP3.05
Rot. Bonds3

About 3-(2-methoxy-4,5-dimethylphenyl)-N,5-dimethyl-1H-pyrazol-4-amine

3-(2-methoxy-4,5-dimethylphenyl)-N,5-dimethyl-1H-pyrazol-4-amine (PubChem CID 116826932) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-(2-methoxy-4,5-dimethylphenyl)-N,5-dimethyl-1H-pyrazol-4-amine.

Molecular Properties

Compound Name3-(2-methoxy-4,5-dimethylphenyl)-N,5-dimethyl-1H-pyrazol-4-amine
PubChem CID116826932
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name3-(2-methoxy-4,5-dimethylphenyl)-N,5-dimethyl-1H-pyrazol-4-amine
SMILESCNc1c(-c2cc(C)c(C)cc2OC)n[nH]c1C
InChIInChI=1S/C14H19N3O/c1-8-6-11(12(18-5)7-9(8)2)14-13(15-4)10(3)16-17-14/h6-7,15H,1-5H3,(H,16,17)
InChIKeyYKIJDAXUGIHSII-UHFFFAOYSA-N
XLogP3.05
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,5-dimethoxy-4-methylphenyl)-5-methyl-1H-pyrazol-4-amine
CID 82479888
3-(3-bromo-4-methoxyphenyl)-N,5-dimethyl-1H-pyrazol-4-amine
CID 116826928
N-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]benzamide
CID 42685754
3-(2-bromophenyl)-N,5-dimethyl-1H-pyrazol-4-amine
CID 116827020
N-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-3,4-dimethoxybenzamide
CID 42685772
N-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide
CID 42685763
1-[5-bromo-4-(2-methoxy-4,5-dimethylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine
CID 84606053
1-[2-bromo-4-(2-methoxy-4,5-dimethylphenyl)-1H-imidazol-5-yl]-N-methylmethanamine
CID 84605929
2-bromo-4-(2-methoxy-4,5-dimethylphenyl)-5-methyl-1,3-thiazole
CID 82135463
N,5-dimethyl-3-pyridin-4-yl-1H-pyrazol-4-amine
CID 116827006
3-(1H-indol-3-yl)-N,5-dimethyl-1H-pyrazol-4-amine
CID 136995809
N,5-dimethyl-3-(6-methylnaphthalen-2-yl)-1H-pyrazol-4-amine
CID 116827019

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-4,5-dimethylphenyl)-N,5-dimethyl-1H-pyrazol-4-amine?
The IUPAC name of 3-(2-methoxy-4,5-dimethylphenyl)-N,5-dimethyl-1H-pyrazol-4-amine (CID 116826932) is 3-(2-methoxy-4,5-dimethylphenyl)-N,5-dimethyl-1H-pyrazol-4-amine.
What is the SMILES notation for 3-(2-methoxy-4,5-dimethylphenyl)-N,5-dimethyl-1H-pyrazol-4-amine?
The canonical SMILES for 3-(2-methoxy-4,5-dimethylphenyl)-N,5-dimethyl-1H-pyrazol-4-amine is CNc1c(-c2cc(C)c(C)cc2OC)n[nH]c1C.
What is the InChIKey of 3-(2-methoxy-4,5-dimethylphenyl)-N,5-dimethyl-1H-pyrazol-4-amine?
The InChIKey is YKIJDAXUGIHSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-8-6-11(12(18-5)7-9(8)2)14-13(15-4)10(3)16-17-14/h6-7,15H,1-5H3,(H,16,17).
What are the key properties of 3-(2-methoxy-4,5-dimethylphenyl)-N,5-dimethyl-1H-pyrazol-4-amine?
3-(2-methoxy-4,5-dimethylphenyl)-N,5-dimethyl-1H-pyrazol-4-amine has a molecular weight of 245.33 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-4,5-dimethylphenyl)-N,5-dimethyl-1H-pyrazol-4-amine is sourced from PubChem (CID 116826932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).