3-(3,4-dimethylphenyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine

C17H18N4 — CID 80522035

IUPAC3-(3,4-dimethylphenyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine
SMILESCc1ccc(-c2nn(C)c(N)c2-c2ccccn2)cc1C
InChIInChI=1S/C17H18N4/c1-11-7-8-13(10-12(11)2)16-15(17(18)21(3)20-16)14-6-4-5-9-19-14/h4-10H,18H2,1-3H3
InChIKeyKOHWCMRUOSDEBF-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.35
Rot. Bonds2

About 3-(3,4-dimethylphenyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine

3-(3,4-dimethylphenyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine (PubChem CID 80522035) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine
PubChem CID80522035
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name3-(3,4-dimethylphenyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine
SMILESCc1ccc(-c2nn(C)c(N)c2-c2ccccn2)cc1C
InChIInChI=1S/C17H18N4/c1-11-7-8-13(10-12(11)2)16-15(17(18)21(3)20-16)14-6-4-5-9-19-14/h4-10H,18H2,1-3H3
InChIKeyKOHWCMRUOSDEBF-UHFFFAOYSA-N
XLogP3.35
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-dimethylphenyl)-1-methyl-3-pyridin-2-ylpyrazol-5-amine
CID 62901484
3-(3-bromo-4-methylphenyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine
CID 81460629
3-(4-bromo-3-fluorophenyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine
CID 80522025
1-methyl-3-(2-methylphenyl)-4-pyridin-2-ylpyrazol-5-amine
CID 80521659
3-(5-chloro-2-methylphenyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine
CID 82871264
3-(4,5-dimethylthiophen-2-yl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine
CID 80521046
1-methyl-4-pyridin-2-yl-3-pyridin-3-ylpyrazol-5-amine
CID 80521128
1-methyl-3-(4-methylthiophen-3-yl)-4-pyridin-2-ylpyrazol-5-amine
CID 80521660
4-(4-methoxyphenyl)-1-methyl-3-pyridin-2-ylpyrazol-5-amine
CID 62824966
3-(5-ethylthiophen-2-yl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine
CID 80521721
4-(3,4-dimethylphenyl)-2,6-dipyridin-2-ylpyridine
CID 102129587
3-(4-iodophenyl)-1-methyl-4-(2-methylphenyl)pyrazol-5-amine
CID 43336269

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine?
The IUPAC name of 3-(3,4-dimethylphenyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine (CID 80522035) is 3-(3,4-dimethylphenyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine?
The canonical SMILES for 3-(3,4-dimethylphenyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine is Cc1ccc(-c2nn(C)c(N)c2-c2ccccn2)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine?
The InChIKey is KOHWCMRUOSDEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-11-7-8-13(10-12(11)2)16-15(17(18)21(3)20-16)14-6-4-5-9-19-14/h4-10H,18H2,1-3H3.
What are the key properties of 3-(3,4-dimethylphenyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine?
3-(3,4-dimethylphenyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine has a molecular weight of 278.36 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine is sourced from PubChem (CID 80522035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).