6-(2,5-dimethylpyrazol-3-yl)pyrimidine-4-carboxylic acid

C10H10N4O2 — CID 121206397

IUPAC6-(2,5-dimethylpyrazol-3-yl)pyrimidine-4-carboxylic acid
SMILESCc1cc(-c2cc(C(=O)O)ncn2)n(C)n1
InChIInChI=1S/C10H10N4O2/c1-6-3-9(14(2)13-6)7-4-8(10(15)16)12-5-11-7/h3-5H,1-2H3,(H,15,16)
InChIKeyKJARHTHTMFLYFV-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.88
Rot. Bonds2

About 6-(2,5-dimethylpyrazol-3-yl)pyrimidine-4-carboxylic acid

6-(2,5-dimethylpyrazol-3-yl)pyrimidine-4-carboxylic acid (PubChem CID 121206397) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 6-(2,5-dimethylpyrazol-3-yl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-(2,5-dimethylpyrazol-3-yl)pyrimidine-4-carboxylic acid
PubChem CID121206397
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name6-(2,5-dimethylpyrazol-3-yl)pyrimidine-4-carboxylic acid
SMILESCc1cc(-c2cc(C(=O)O)ncn2)n(C)n1
InChIInChI=1S/C10H10N4O2/c1-6-3-9(14(2)13-6)7-4-8(10(15)16)12-5-11-7/h3-5H,1-2H3,(H,15,16)
InChIKeyKJARHTHTMFLYFV-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

2-(2,5-dimethylpyrazol-3-yl)-4-methylpyridine
CID 139386235
4-(2,5-dimethylpyrazol-3-yl)-1H-pyrimidin-6-one
CID 137025541
pyrimidine-4,6-dicarboxylic acid;dihydrate
CID 139151595
6-(5-methyl-1H-1,2,4-triazol-3-yl)pyrimidine-4-carboxylic acid
CID 105456990
5-(2,5-dimethylpyrazol-3-yl)furan-2-carboxylic acid
CID 97034386
6-indolizin-3-ylpyrimidine-4-carboxylic acid
CID 82388463
2-(2,5-dimethylpyrazol-3-yl)-5-methyl-1,3-oxazole-4-carboxylic acid
CID 66128650
6-(2-methoxyphenyl)pyrimidine-4-carboxylic acid
CID 82288708
6-(3,5-difluorophenyl)pyrimidine-4-carboxylic acid
CID 117000642
6-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxylic acid
CID 82294071
6-(4-methoxy-2,3,5-trimethylphenyl)pyrimidine-4-carboxylic acid
CID 82306331
2-(2,5-dimethylpyrazol-3-yl)-5-ethoxy-1,3-oxazole-4-carboxylic acid
CID 66128860

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylpyrazol-3-yl)pyrimidine-4-carboxylic acid?
The IUPAC name of 6-(2,5-dimethylpyrazol-3-yl)pyrimidine-4-carboxylic acid (CID 121206397) is 6-(2,5-dimethylpyrazol-3-yl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-(2,5-dimethylpyrazol-3-yl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-(2,5-dimethylpyrazol-3-yl)pyrimidine-4-carboxylic acid is Cc1cc(-c2cc(C(=O)O)ncn2)n(C)n1.
What is the InChIKey of 6-(2,5-dimethylpyrazol-3-yl)pyrimidine-4-carboxylic acid?
The InChIKey is KJARHTHTMFLYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-6-3-9(14(2)13-6)7-4-8(10(15)16)12-5-11-7/h3-5H,1-2H3,(H,15,16).
What are the key properties of 6-(2,5-dimethylpyrazol-3-yl)pyrimidine-4-carboxylic acid?
6-(2,5-dimethylpyrazol-3-yl)pyrimidine-4-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 6-(2,5-dimethylpyrazol-3-yl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 121206397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).