1-(3,4-dimethylphenyl)-3-(2-methoxyethyl)pyrazol-5-amine

C14H19N3O — CID 82085843

IUPAC1-(3,4-dimethylphenyl)-3-(2-methoxyethyl)pyrazol-5-amine
SMILESCOCCc1cc(N)n(-c2ccc(C)c(C)c2)n1
InChIInChI=1S/C14H19N3O/c1-10-4-5-13(8-11(10)2)17-14(15)9-12(16-17)6-7-18-3/h4-5,8-9H,6-7,15H2,1-3H3
InChIKeyKUHRIFCPIOITOO-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.26
Rot. Bonds4

About 1-(3,4-dimethylphenyl)-3-(2-methoxyethyl)pyrazol-5-amine

1-(3,4-dimethylphenyl)-3-(2-methoxyethyl)pyrazol-5-amine (PubChem CID 82085843) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3-(2-methoxyethyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3-(2-methoxyethyl)pyrazol-5-amine
PubChem CID82085843
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-(3,4-dimethylphenyl)-3-(2-methoxyethyl)pyrazol-5-amine
SMILESCOCCc1cc(N)n(-c2ccc(C)c(C)c2)n1
InChIInChI=1S/C14H19N3O/c1-10-4-5-13(8-11(10)2)17-14(15)9-12(16-17)6-7-18-3/h4-5,8-9H,6-7,15H2,1-3H3
InChIKeyKUHRIFCPIOITOO-UHFFFAOYSA-N
XLogP2.26
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromo-4-methylphenyl)-3-propylpyrazol-5-amine
CID 82094414
2-[1-(3,4-dimethylphenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]ethanamine
CID 82071889
1-(4-chlorophenyl)-3-propylpyrazol-5-amine
CID 82083521
N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119890576
3-tert-butyl-1-(3-methoxy-4-methylphenyl)pyrazol-5-amine
CID 59151784
1-(4-tert-butylphenyl)-3-propylpyrazol-5-amine
CID 82089365
3-butyl-1-(4-fluorophenyl)pyrazol-5-amine
CID 82082766
ethyl 4-(5-amino-3-butylpyrazol-1-yl)benzoate
CID 143256280
3-(diethylaminomethyl)-1-(4-methoxyphenyl)pyrazol-5-amine
CID 82171816
3-heptyl-1-phenylpyrazol-5-amine
CID 43336725
4-(3,5-diethylpyrazol-1-yl)-2-methylaniline
CID 82693662
[1-(3,4-dimethylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methanamine
CID 82478670

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3-(2-methoxyethyl)pyrazol-5-amine?
The IUPAC name of 1-(3,4-dimethylphenyl)-3-(2-methoxyethyl)pyrazol-5-amine (CID 82085843) is 1-(3,4-dimethylphenyl)-3-(2-methoxyethyl)pyrazol-5-amine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3-(2-methoxyethyl)pyrazol-5-amine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3-(2-methoxyethyl)pyrazol-5-amine is COCCc1cc(N)n(-c2ccc(C)c(C)c2)n1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3-(2-methoxyethyl)pyrazol-5-amine?
The InChIKey is KUHRIFCPIOITOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10-4-5-13(8-11(10)2)17-14(15)9-12(16-17)6-7-18-3/h4-5,8-9H,6-7,15H2,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)-3-(2-methoxyethyl)pyrazol-5-amine?
1-(3,4-dimethylphenyl)-3-(2-methoxyethyl)pyrazol-5-amine has a molecular weight of 245.33 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-3-(2-methoxyethyl)pyrazol-5-amine is sourced from PubChem (CID 82085843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).