3-chloro-5-(1-ethylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid

C12H10ClN5O2 — CID 29091407

IUPAC3-chloro-5-(1-ethylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid
SMILESCCn1ccc(-c2cc(C(=O)O)n3ncc(Cl)c3n2)n1
InChIInChI=1S/C12H10ClN5O2/c1-2-17-4-3-8(16-17)9-5-10(12(19)20)18-11(15-9)7(13)6-14-18/h3-6H,2H2,1H3,(H,19,20)
InChIKeyNMYNQDGYAAROOI-UHFFFAOYSA-N
MW291.70 g/mol
LogP1.96
Rot. Bonds3

About 3-chloro-5-(1-ethylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid

3-chloro-5-(1-ethylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid (PubChem CID 29091407) has the molecular formula C12H10ClN5O2 and a molecular weight of 291.70 g/mol. Its IUPAC name is 3-chloro-5-(1-ethylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name3-chloro-5-(1-ethylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid
PubChem CID29091407
Molecular FormulaC12H10ClN5O2
Molecular Weight291.70 g/mol
Exact Mass291.05
IUPAC Name3-chloro-5-(1-ethylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid
SMILESCCn1ccc(-c2cc(C(=O)O)n3ncc(Cl)c3n2)n1
InChIInChI=1S/C12H10ClN5O2/c1-2-17-4-3-8(16-17)9-5-10(12(19)20)18-11(15-9)7(13)6-14-18/h3-6H,2H2,1H3,(H,19,20)
InChIKeyNMYNQDGYAAROOI-UHFFFAOYSA-N
XLogP1.96
TPSA85.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.70
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(1-ethylpyrazol-3-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 19916230
3-bromo-5-(1-ethylpyrazol-3-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 44822400
3-ethyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 104617872
methyl 3-chloro-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-7-carboxylate
CID 44822346
methyl 4-(1-ethylpyrazol-3-yl)-13-methyl-11-(trifluoromethyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene-6-carboxylate
CID 19916221
3-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 113433503
3-(2-chlorophenyl)-1-ethylpyrazole-5-carboxylic acid
CID 67143292
methyl 3-chloro-5-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate
CID 29091398
1-ethyl-3-(1-methylpyrazol-3-yl)pyrazole
CID 175388618
methyl 3-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylate
CID 25247710
3-chloro-7-(dimethylamino)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 115043945
N-(3-chloro-4-methylphenyl)-6-(1-ethylpyrazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824218

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(1-ethylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
The IUPAC name of 3-chloro-5-(1-ethylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid (CID 29091407) is 3-chloro-5-(1-ethylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 3-chloro-5-(1-ethylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
The canonical SMILES for 3-chloro-5-(1-ethylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid is CCn1ccc(-c2cc(C(=O)O)n3ncc(Cl)c3n2)n1.
What is the InChIKey of 3-chloro-5-(1-ethylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
The InChIKey is NMYNQDGYAAROOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN5O2/c1-2-17-4-3-8(16-17)9-5-10(12(19)20)18-11(15-9)7(13)6-14-18/h3-6H,2H2,1H3,(H,19,20).
What are the key properties of 3-chloro-5-(1-ethylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
3-chloro-5-(1-ethylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid has a molecular weight of 291.70 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(1-ethylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 29091407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).