7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid

C14H11N3O2 — CID 776256

IUPAC7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESCc1cc(-c2ccccc2)nc2cc(C(=O)O)nn12
InChIInChI=1S/C14H11N3O2/c1-9-7-11(10-5-3-2-4-6-10)15-13-8-12(14(18)19)16-17(9)13/h2-8H,1H3,(H,18,19)
InChIKeyWSVXLVVUFWLVNB-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.40
Rot. Bonds2

About 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid

7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid (PubChem CID 776256) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
PubChem CID776256
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESCc1cc(-c2ccccc2)nc2cc(C(=O)O)nn12
InChIInChI=1S/C14H11N3O2/c1-9-7-11(10-5-3-2-4-6-10)15-13-8-12(14(18)19)16-17(9)13/h2-8H,1H3,(H,18,19)
InChIKeyWSVXLVVUFWLVNB-UHFFFAOYSA-N
XLogP2.40
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-phenylpyrazolo[1,5-a]pyrimidine-2,7-dicarboxylic acid
CID 19916307
azepan-1-yl-(7-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)methanone
CID 744096
(4-hydroxypiperidin-1-yl)-(7-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)methanone
CID 143022801
5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 655493
N-benzyl-N,7-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1103631
N-(4-acetylphenyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3991557
N-(4-ethylphenyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1103627
7-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 82092183
N-[(4-methoxyphenyl)methyl]-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3860137
7-(4-methoxyphenyl)-5-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 15957585
methyl 5-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 759675
N-tert-butyl-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 24716804

Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid (CID 776256) is 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid is Cc1cc(-c2ccccc2)nc2cc(C(=O)O)nn12.
What is the InChIKey of 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The InChIKey is WSVXLVVUFWLVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c1-9-7-11(10-5-3-2-4-6-10)15-13-8-12(14(18)19)16-17(9)13/h2-8H,1H3,(H,18,19).
What are the key properties of 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 776256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).