5-(1-ethylpyrazol-3-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid

C19H17N5O2 — CID 19916230

IUPAC5-(1-ethylpyrazol-3-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
SMILESCCn1ccc(-c2cc(C(=O)O)n3nc(C)c(-c4ccccc4)c3n2)n1
InChIInChI=1S/C19H17N5O2/c1-3-23-10-9-14(22-23)15-11-16(19(25)26)24-18(20-15)17(12(2)21-24)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3,(H,25,26)
InChIKeyWHFDWWXENCBUIL-UHFFFAOYSA-N
MW347.38 g/mol
LogP3.29
Rot. Bonds4

About 5-(1-ethylpyrazol-3-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid

5-(1-ethylpyrazol-3-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid (PubChem CID 19916230) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 5-(1-ethylpyrazol-3-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name5-(1-ethylpyrazol-3-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
PubChem CID19916230
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name5-(1-ethylpyrazol-3-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
SMILESCCn1ccc(-c2cc(C(=O)O)n3nc(C)c(-c4ccccc4)c3n2)n1
InChIInChI=1S/C19H17N5O2/c1-3-23-10-9-14(22-23)15-11-16(19(25)26)24-18(20-15)17(12(2)21-24)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3,(H,25,26)
InChIKeyWHFDWWXENCBUIL-UHFFFAOYSA-N
XLogP3.29
TPSA85.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1-ethylpyrazol-3-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
The IUPAC name of 5-(1-ethylpyrazol-3-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid (CID 19916230) is 5-(1-ethylpyrazol-3-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 5-(1-ethylpyrazol-3-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
The canonical SMILES for 5-(1-ethylpyrazol-3-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid is CCn1ccc(-c2cc(C(=O)O)n3nc(C)c(-c4ccccc4)c3n2)n1.
What is the InChIKey of 5-(1-ethylpyrazol-3-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
The InChIKey is WHFDWWXENCBUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-3-23-10-9-14(22-23)15-11-16(19(25)26)24-18(20-15)17(12(2)21-24)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3,(H,25,26).
What are the key properties of 5-(1-ethylpyrazol-3-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
5-(1-ethylpyrazol-3-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid has a molecular weight of 347.38 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethylpyrazol-3-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 19916230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).