1-methyl-4-(5-methylpyrimidin-2-yl)pyrazole-3-carboxylic acid

C10H10N4O2 — CID 130298551

IUPAC1-methyl-4-(5-methylpyrimidin-2-yl)pyrazole-3-carboxylic acid
SMILESCc1cnc(-c2cn(C)nc2C(=O)O)nc1
InChIInChI=1S/C10H10N4O2/c1-6-3-11-9(12-4-6)7-5-14(2)13-8(7)10(15)16/h3-5H,1-2H3,(H,15,16)
InChIKeyPJOOSNAYHSWEBE-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.88
Rot. Bonds2

About 1-methyl-4-(5-methylpyrimidin-2-yl)pyrazole-3-carboxylic acid

1-methyl-4-(5-methylpyrimidin-2-yl)pyrazole-3-carboxylic acid (PubChem CID 130298551) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 1-methyl-4-(5-methylpyrimidin-2-yl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-methyl-4-(5-methylpyrimidin-2-yl)pyrazole-3-carboxylic acid
PubChem CID130298551
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name1-methyl-4-(5-methylpyrimidin-2-yl)pyrazole-3-carboxylic acid
SMILESCc1cnc(-c2cn(C)nc2C(=O)O)nc1
InChIInChI=1S/C10H10N4O2/c1-6-3-11-9(12-4-6)7-5-14(2)13-8(7)10(15)16/h3-5H,1-2H3,(H,15,16)
InChIKeyPJOOSNAYHSWEBE-UHFFFAOYSA-N
XLogP0.88
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-fluoropyrimidin-2-yl)-1-methylpyrazole-3-carboxylic acid
CID 127255845
1-methyl-4-pyrimidin-2-ylpyrazole-3-carboxylic acid
CID 130298603
1-methyl-4-(5-methyl-2-pyridinyl)pyrazole-3-carboxylic acid
CID 130298592
4-(4-chlorophenyl)-1-methylpyrazole-3-carboxylic acid
CID 83647480
1-methyl-4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazole-3-carboxylic acid
CID 118072863
4-(2-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid
CID 83645102
5-(1,3-dimethylpyrazol-4-yl)-1,3-oxazole-4-carboxylic acid
CID 102802256
4-[4-(2-methoxyethoxy)phenyl]-1-methylpyrazole-3-carboxylic acid
CID 122567754
1-methyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazole-3-carboxylic acid
CID 122558338
4-(4-chloro-2-fluorophenyl)-1-methylpyrazole-3-carboxylic acid
CID 170457601
4-[3-(hydroxymethyl)phenyl]-1-methylpyrazole-3-carboxylic acid
CID 170457592
5-methyl-2-(1-methyl-1,2,4-triazol-3-yl)pyrimidine
CID 134400324

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(5-methylpyrimidin-2-yl)pyrazole-3-carboxylic acid?
The IUPAC name of 1-methyl-4-(5-methylpyrimidin-2-yl)pyrazole-3-carboxylic acid (CID 130298551) is 1-methyl-4-(5-methylpyrimidin-2-yl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-methyl-4-(5-methylpyrimidin-2-yl)pyrazole-3-carboxylic acid?
The canonical SMILES for 1-methyl-4-(5-methylpyrimidin-2-yl)pyrazole-3-carboxylic acid is Cc1cnc(-c2cn(C)nc2C(=O)O)nc1.
What is the InChIKey of 1-methyl-4-(5-methylpyrimidin-2-yl)pyrazole-3-carboxylic acid?
The InChIKey is PJOOSNAYHSWEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-6-3-11-9(12-4-6)7-5-14(2)13-8(7)10(15)16/h3-5H,1-2H3,(H,15,16).
What are the key properties of 1-methyl-4-(5-methylpyrimidin-2-yl)pyrazole-3-carboxylic acid?
1-methyl-4-(5-methylpyrimidin-2-yl)pyrazole-3-carboxylic acid has a molecular weight of 218.22 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 1-methyl-4-(5-methylpyrimidin-2-yl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 130298551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).