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

C16H16N4 — CID 83216124

IUPAC1-(2,5-dimethylphenyl)-3-pyridin-3-ylpyrazol-4-amine
SMILESCc1ccc(C)c(-n2cc(N)c(-c3cccnc3)n2)c1
InChIInChI=1S/C16H16N4/c1-11-5-6-12(2)15(8-11)20-10-14(17)16(19-20)13-4-3-7-18-9-13/h3-10H,17H2,1-2H3
InChIKeyYRSVUZVQRNBDSR-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.13
Rot. Bonds2

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

1-(2,5-dimethylphenyl)-3-pyridin-3-ylpyrazol-4-amine (PubChem CID 83216124) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-3-pyridin-3-ylpyrazol-4-amine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-3-pyridin-3-ylpyrazol-4-amine
PubChem CID83216124
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name1-(2,5-dimethylphenyl)-3-pyridin-3-ylpyrazol-4-amine
SMILESCc1ccc(C)c(-n2cc(N)c(-c3cccnc3)n2)c1
InChIInChI=1S/C16H16N4/c1-11-5-6-12(2)15(8-11)20-10-14(17)16(19-20)13-4-3-7-18-9-13/h3-10H,17H2,1-2H3
InChIKeyYRSVUZVQRNBDSR-UHFFFAOYSA-N
XLogP3.13
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-3-pyridin-3-ylpyrazol-4-amine?
The IUPAC name of 1-(2,5-dimethylphenyl)-3-pyridin-3-ylpyrazol-4-amine (CID 83216124) is 1-(2,5-dimethylphenyl)-3-pyridin-3-ylpyrazol-4-amine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-3-pyridin-3-ylpyrazol-4-amine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-3-pyridin-3-ylpyrazol-4-amine is Cc1ccc(C)c(-n2cc(N)c(-c3cccnc3)n2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-3-pyridin-3-ylpyrazol-4-amine?
The InChIKey is YRSVUZVQRNBDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-11-5-6-12(2)15(8-11)20-10-14(17)16(19-20)13-4-3-7-18-9-13/h3-10H,17H2,1-2H3.
What are the key properties of 1-(2,5-dimethylphenyl)-3-pyridin-3-ylpyrazol-4-amine?
1-(2,5-dimethylphenyl)-3-pyridin-3-ylpyrazol-4-amine has a molecular weight of 264.33 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-3-pyridin-3-ylpyrazol-4-amine is sourced from PubChem (CID 83216124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).