5-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid

C12H11N5O2 — CID 29091334

IUPAC5-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid
SMILESCc1c(-c2cc(C(=O)O)n3nccc3n2)cnn1C
InChIInChI=1S/C12H11N5O2/c1-7-8(6-14-16(7)2)9-5-10(12(18)19)17-11(15-9)3-4-13-17/h3-6H,1-2H3,(H,18,19)
InChIKeySPNLYIHJYSPQIQ-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.14
Rot. Bonds2

About 5-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid

5-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid (PubChem CID 29091334) has the molecular formula C12H11N5O2 and a molecular weight of 257.25 g/mol. Its IUPAC name is 5-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name5-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid
PubChem CID29091334
Molecular FormulaC12H11N5O2
Molecular Weight257.25 g/mol
Exact Mass257.09
IUPAC Name5-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid
SMILESCc1c(-c2cc(C(=O)O)n3nccc3n2)cnn1C
InChIInChI=1S/C12H11N5O2/c1-7-8(6-14-16(7)2)9-5-10(12(18)19)17-11(15-9)3-4-13-17/h3-6H,1-2H3,(H,18,19)
InChIKeySPNLYIHJYSPQIQ-UHFFFAOYSA-N
XLogP1.14
TPSA85.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3,4-dichlorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 29091062
5-propylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 63820617
5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 63823374
2-[2-[[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485698
3-O-ethyl 7-O-methyl 5-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxylate
CID 19916136
2-(1,5-dimethylpyrazol-4-yl)-5-methoxybenzoic acid
CID 66098475
2-chloro-3-(1,5-dimethylpyrazol-4-yl)benzoic acid
CID 163208344
2-(1,5-dimethylpyrazol-4-yl)-1-methylbenzimidazole-5-carboxylic acid
CID 63892639
5-chloro-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole
CID 80646470
2-[3-(1,5-dimethylpyrazol-4-yl)pyrazol-1-yl]acetic acid
CID 19621310
2-[5-[[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19482663
2-(1,5-dimethylpyrazol-4-yl)-5-phenyl-1,3-thiazole-4-carboxylic acid
CID 79570865

Frequently Asked Questions

What is the IUPAC name of 5-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
The IUPAC name of 5-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid (CID 29091334) is 5-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 5-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
The canonical SMILES for 5-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid is Cc1c(-c2cc(C(=O)O)n3nccc3n2)cnn1C.
What is the InChIKey of 5-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
The InChIKey is SPNLYIHJYSPQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O2/c1-7-8(6-14-16(7)2)9-5-10(12(18)19)17-11(15-9)3-4-13-17/h3-6H,1-2H3,(H,18,19).
What are the key properties of 5-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
5-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid has a molecular weight of 257.25 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 29091334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).