7-(1-ethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

C12H11N5O2 — CID 103200540

IUPAC7-(1-ethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESCCn1cc(-c2ccnc3cc(C(=O)O)nn23)cn1
InChIInChI=1S/C12H11N5O2/c1-2-16-7-8(6-14-16)10-3-4-13-11-5-9(12(18)19)15-17(10)11/h3-7H,2H2,1H3,(H,18,19)
InChIKeyJMYBNANPUPCIND-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.31
Rot. Bonds3

About 7-(1-ethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

7-(1-ethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (PubChem CID 103200540) has the molecular formula C12H11N5O2 and a molecular weight of 257.25 g/mol. Its IUPAC name is 7-(1-ethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name7-(1-ethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
PubChem CID103200540
Molecular FormulaC12H11N5O2
Molecular Weight257.25 g/mol
Exact Mass257.09
IUPAC Name7-(1-ethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESCCn1cc(-c2ccnc3cc(C(=O)O)nn23)cn1
InChIInChI=1S/C12H11N5O2/c1-2-16-7-8(6-14-16)10-3-4-13-11-5-9(12(18)19)15-17(10)11/h3-7H,2H2,1H3,(H,18,19)
InChIKeyJMYBNANPUPCIND-UHFFFAOYSA-N
XLogP1.31
TPSA85.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-(2-ethylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 4774397
7-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 103200521
7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 4776201
pyrazolo[1,5-a]pyrimidine-2,7-dicarboxylic acid
CID 125456084
5-(1-ethylpyrazol-4-yl)pyridine-2-carboxylic acid
CID 62958306
7-(1-ethyl-5-methylpyrazol-4-yl)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19441256
7-[3-(2,3-dihydroxypropylamino)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 168595331
7-(4-bromo-1-ethylpyrazol-3-yl)-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468626
7-(4-bromo-1-ethylpyrazol-3-yl)-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468432
7-(4-bromo-1-ethylpyrazol-3-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19441233
7-(4-bromo-1-ethylpyrazol-3-yl)-N-prop-2-enylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468380
4-(1-ethylpyrazol-4-yl)-2,6-dimethylbenzoic acid
CID 172876924

Frequently Asked Questions

What is the IUPAC name of 7-(1-ethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 7-(1-ethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (CID 103200540) is 7-(1-ethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 7-(1-ethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 7-(1-ethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is CCn1cc(-c2ccnc3cc(C(=O)O)nn23)cn1.
What is the InChIKey of 7-(1-ethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The InChIKey is JMYBNANPUPCIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O2/c1-2-16-7-8(6-14-16)10-3-4-13-11-5-9(12(18)19)15-17(10)11/h3-7H,2H2,1H3,(H,18,19).
What are the key properties of 7-(1-ethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
7-(1-ethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid has a molecular weight of 257.25 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-ethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 103200540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).