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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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).