5-(4-methyl-2-pyridinyl)-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxylic acid

C16H14N4O2 — CID 59003597

IUPAC5-(4-methyl-2-pyridinyl)-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxylic acid
SMILESCc1ccnc(-c2cc(C(=O)O)nn2-c2ccc(C)nc2)c1
InChIInChI=1S/C16H14N4O2/c1-10-5-6-17-13(7-10)15-8-14(16(21)22)19-20(15)12-4-3-11(2)18-9-12/h3-9H,1-2H3,(H,21,22)
InChIKeySILRMGATRWEQBB-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.64
Rot. Bonds3

About 5-(4-methyl-2-pyridinyl)-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxylic acid

5-(4-methyl-2-pyridinyl)-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxylic acid (PubChem CID 59003597) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 5-(4-methyl-2-pyridinyl)-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-methyl-2-pyridinyl)-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxylic acid
PubChem CID59003597
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name5-(4-methyl-2-pyridinyl)-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxylic acid
SMILESCc1ccnc(-c2cc(C(=O)O)nn2-c2ccc(C)nc2)c1
InChIInChI=1S/C16H14N4O2/c1-10-5-6-17-13(7-10)15-8-14(16(21)22)19-20(15)12-4-3-11(2)18-9-12/h3-9H,1-2H3,(H,21,22)
InChIKeySILRMGATRWEQBB-UHFFFAOYSA-N
XLogP2.64
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methyl-2-pyridinyl)-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxylic acid?
The IUPAC name of 5-(4-methyl-2-pyridinyl)-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxylic acid (CID 59003597) is 5-(4-methyl-2-pyridinyl)-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-(4-methyl-2-pyridinyl)-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 5-(4-methyl-2-pyridinyl)-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxylic acid is Cc1ccnc(-c2cc(C(=O)O)nn2-c2ccc(C)nc2)c1.
What is the InChIKey of 5-(4-methyl-2-pyridinyl)-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxylic acid?
The InChIKey is SILRMGATRWEQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-10-5-6-17-13(7-10)15-8-14(16(21)22)19-20(15)12-4-3-11(2)18-9-12/h3-9H,1-2H3,(H,21,22).
What are the key properties of 5-(4-methyl-2-pyridinyl)-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxylic acid?
5-(4-methyl-2-pyridinyl)-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxylic acid has a molecular weight of 294.31 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methyl-2-pyridinyl)-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 59003597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).