5-methyl-2-(1-methyl-2H-pyrimidin-2-yl)pyrazole-3-carboxylic acid

C10H12N4O2 — CID 142317008

IUPAC5-methyl-2-(1-methyl-2H-pyrimidin-2-yl)pyrazole-3-carboxylic acid
SMILESCc1cc(C(=O)O)n(C2N=CC=CN2C)n1
InChIInChI=1S/C10H12N4O2/c1-7-6-8(9(15)16)14(12-7)10-11-4-3-5-13(10)2/h3-6,10H,1-2H3,(H,15,16)
InChIKeyHTWDMICRPBSZCZ-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.88
Rot. Bonds2

About 5-methyl-2-(1-methyl-2H-pyrimidin-2-yl)pyrazole-3-carboxylic acid

5-methyl-2-(1-methyl-2H-pyrimidin-2-yl)pyrazole-3-carboxylic acid (PubChem CID 142317008) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 5-methyl-2-(1-methyl-2H-pyrimidin-2-yl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-2-(1-methyl-2H-pyrimidin-2-yl)pyrazole-3-carboxylic acid
PubChem CID142317008
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name5-methyl-2-(1-methyl-2H-pyrimidin-2-yl)pyrazole-3-carboxylic acid
SMILESCc1cc(C(=O)O)n(C2N=CC=CN2C)n1
InChIInChI=1S/C10H12N4O2/c1-7-6-8(9(15)16)14(12-7)10-11-4-3-5-13(10)2/h3-6,10H,1-2H3,(H,15,16)
InChIKeyHTWDMICRPBSZCZ-UHFFFAOYSA-N
XLogP0.88
TPSA70.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(1-methyl-2H-pyrimidin-2-yl)pyrazole-3-carboxylic acid?
The IUPAC name of 5-methyl-2-(1-methyl-2H-pyrimidin-2-yl)pyrazole-3-carboxylic acid (CID 142317008) is 5-methyl-2-(1-methyl-2H-pyrimidin-2-yl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-methyl-2-(1-methyl-2H-pyrimidin-2-yl)pyrazole-3-carboxylic acid?
The canonical SMILES for 5-methyl-2-(1-methyl-2H-pyrimidin-2-yl)pyrazole-3-carboxylic acid is Cc1cc(C(=O)O)n(C2N=CC=CN2C)n1.
What is the InChIKey of 5-methyl-2-(1-methyl-2H-pyrimidin-2-yl)pyrazole-3-carboxylic acid?
The InChIKey is HTWDMICRPBSZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-7-6-8(9(15)16)14(12-7)10-11-4-3-5-13(10)2/h3-6,10H,1-2H3,(H,15,16).
What are the key properties of 5-methyl-2-(1-methyl-2H-pyrimidin-2-yl)pyrazole-3-carboxylic acid?
5-methyl-2-(1-methyl-2H-pyrimidin-2-yl)pyrazole-3-carboxylic acid has a molecular weight of 220.23 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(1-methyl-2H-pyrimidin-2-yl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 142317008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).