5-amino-3-(4-methylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide

C16H15N5O — CID 54553606

IUPAC5-amino-3-(4-methylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCc1ccc(-c2nn(-c3ccccn3)c(N)c2C(N)=O)cc1
InChIInChI=1S/C16H15N5O/c1-10-5-7-11(8-6-10)14-13(16(18)22)15(17)21(20-14)12-4-2-3-9-19-12/h2-9H,17H2,1H3,(H2,18,22)
InChIKeyZLPRNSJBRTWQCR-UHFFFAOYSA-N
MW293.33 g/mol
LogP1.92
Rot. Bonds3

About 5-amino-3-(4-methylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide

5-amino-3-(4-methylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide (PubChem CID 54553606) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is 5-amino-3-(4-methylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-(4-methylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
PubChem CID54553606
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC Name5-amino-3-(4-methylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCc1ccc(-c2nn(-c3ccccn3)c(N)c2C(N)=O)cc1
InChIInChI=1S/C16H15N5O/c1-10-5-7-11(8-6-10)14-13(16(18)22)15(17)21(20-14)12-4-2-3-9-19-12/h2-9H,17H2,1H3,(H2,18,22)
InChIKeyZLPRNSJBRTWQCR-UHFFFAOYSA-N
XLogP1.92
TPSA99.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(4-methylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-(4-methylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide (CID 54553606) is 5-amino-3-(4-methylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-(4-methylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-(4-methylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide is Cc1ccc(-c2nn(-c3ccccn3)c(N)c2C(N)=O)cc1.
What is the InChIKey of 5-amino-3-(4-methylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide?
The InChIKey is ZLPRNSJBRTWQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c1-10-5-7-11(8-6-10)14-13(16(18)22)15(17)21(20-14)12-4-2-3-9-19-12/h2-9H,17H2,1H3,(H2,18,22).
What are the key properties of 5-amino-3-(4-methylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide?
5-amino-3-(4-methylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(4-methylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 54553606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).