3-(4-methoxyphenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-amine

C16H16N4O — CID 80523679

IUPAC3-(4-methoxyphenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-amine
SMILESCOc1ccc(-c2nn(C)c(N)c2-c2ccncc2)cc1
InChIInChI=1S/C16H16N4O/c1-20-16(17)14(11-7-9-18-10-8-11)15(19-20)12-3-5-13(21-2)6-4-12/h3-10H,17H2,1-2H3
InChIKeyRBOJLIBRXPVBLG-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.74
Rot. Bonds3

About 3-(4-methoxyphenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-amine

3-(4-methoxyphenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-amine (PubChem CID 80523679) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-amine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-amine
PubChem CID80523679
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name3-(4-methoxyphenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-amine
SMILESCOc1ccc(-c2nn(C)c(N)c2-c2ccncc2)cc1
InChIInChI=1S/C16H16N4O/c1-20-16(17)14(11-7-9-18-10-8-11)15(19-20)12-3-5-13(21-2)6-4-12/h3-10H,17H2,1-2H3
InChIKeyRBOJLIBRXPVBLG-UHFFFAOYSA-N
XLogP2.74
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-amine?
The IUPAC name of 3-(4-methoxyphenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-amine (CID 80523679) is 3-(4-methoxyphenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-amine.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-amine?
The canonical SMILES for 3-(4-methoxyphenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-amine is COc1ccc(-c2nn(C)c(N)c2-c2ccncc2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-amine?
The InChIKey is RBOJLIBRXPVBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-20-16(17)14(11-7-9-18-10-8-11)15(19-20)12-3-5-13(21-2)6-4-12/h3-10H,17H2,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-amine?
3-(4-methoxyphenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-amine has a molecular weight of 280.33 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-amine is sourced from PubChem (CID 80523679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).