1-methyl-4-pyrimidin-2-ylpyrazole-3-carboxylic acid

C9H8N4O2 — CID 130298603

IUPAC1-methyl-4-pyrimidin-2-ylpyrazole-3-carboxylic acid
SMILESCn1cc(-c2ncccn2)c(C(=O)O)n1
InChIInChI=1S/C9H8N4O2/c1-13-5-6(7(12-13)9(14)15)8-10-3-2-4-11-8/h2-5H,1H3,(H,14,15)
InChIKeyORUWCTAFPNOTPZ-UHFFFAOYSA-N
MW204.19 g/mol
LogP0.58
Rot. Bonds2

About 1-methyl-4-pyrimidin-2-ylpyrazole-3-carboxylic acid

1-methyl-4-pyrimidin-2-ylpyrazole-3-carboxylic acid (PubChem CID 130298603) has the molecular formula C9H8N4O2 and a molecular weight of 204.19 g/mol. Its IUPAC name is 1-methyl-4-pyrimidin-2-ylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-methyl-4-pyrimidin-2-ylpyrazole-3-carboxylic acid
PubChem CID130298603
Molecular FormulaC9H8N4O2
Molecular Weight204.19 g/mol
Exact Mass204.06
IUPAC Name1-methyl-4-pyrimidin-2-ylpyrazole-3-carboxylic acid
SMILESCn1cc(-c2ncccn2)c(C(=O)O)n1
InChIInChI=1S/C9H8N4O2/c1-13-5-6(7(12-13)9(14)15)8-10-3-2-4-11-8/h2-5H,1H3,(H,14,15)
InChIKeyORUWCTAFPNOTPZ-UHFFFAOYSA-N
XLogP0.58
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-4-(5-methylpyrimidin-2-yl)pyrazole-3-carboxylic acid
CID 130298551
4-(5-fluoropyrimidin-2-yl)-1-methylpyrazole-3-carboxylic acid
CID 127255845
3-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridine-2-carboxylic acid
CID 107525280
4-(2-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid
CID 83645102
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-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazole-3-carboxylic acid
CID 122558338
1-methyl-4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazole-3-carboxylic acid
CID 118072863
4-[3-(hydroxymethyl)phenyl]-1-methylpyrazole-3-carboxylic acid
CID 170457592
4-[4-(2-methoxyethoxy)phenyl]-1-methylpyrazole-3-carboxylic acid
CID 122567754
4-(4-chloro-2-fluorophenyl)-1-methylpyrazole-3-carboxylic acid
CID 170457601
1-methyl-4-phenylpyrazole-3-carboxamide
CID 71145159

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-pyrimidin-2-ylpyrazole-3-carboxylic acid?
The IUPAC name of 1-methyl-4-pyrimidin-2-ylpyrazole-3-carboxylic acid (CID 130298603) is 1-methyl-4-pyrimidin-2-ylpyrazole-3-carboxylic acid.
What is the SMILES notation for 1-methyl-4-pyrimidin-2-ylpyrazole-3-carboxylic acid?
The canonical SMILES for 1-methyl-4-pyrimidin-2-ylpyrazole-3-carboxylic acid is Cn1cc(-c2ncccn2)c(C(=O)O)n1.
What is the InChIKey of 1-methyl-4-pyrimidin-2-ylpyrazole-3-carboxylic acid?
The InChIKey is ORUWCTAFPNOTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2/c1-13-5-6(7(12-13)9(14)15)8-10-3-2-4-11-8/h2-5H,1H3,(H,14,15).
What are the key properties of 1-methyl-4-pyrimidin-2-ylpyrazole-3-carboxylic acid?
1-methyl-4-pyrimidin-2-ylpyrazole-3-carboxylic acid has a molecular weight of 204.19 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-pyrimidin-2-ylpyrazole-3-carboxylic acid is sourced from PubChem (CID 130298603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).