3-(2,6-dimethylphenyl)-2-methyl-7-propylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid

C19H21N3O2 — CID 137481122

IUPAC3-(2,6-dimethylphenyl)-2-methyl-7-propylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCCCc1cc(C(=O)O)nc2c(-c3c(C)cccc3C)c(C)nn12
InChIInChI=1S/C19H21N3O2/c1-5-7-14-10-15(19(23)24)20-18-17(13(4)21-22(14)18)16-11(2)8-6-9-12(16)3/h6,8-10H,5,7H2,1-4H3,(H,23,24)
InChIKeyITTRVVXTQQQPFF-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.97
Rot. Bonds4

About 3-(2,6-dimethylphenyl)-2-methyl-7-propylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid

3-(2,6-dimethylphenyl)-2-methyl-7-propylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid (PubChem CID 137481122) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 3-(2,6-dimethylphenyl)-2-methyl-7-propylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name3-(2,6-dimethylphenyl)-2-methyl-7-propylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
PubChem CID137481122
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name3-(2,6-dimethylphenyl)-2-methyl-7-propylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCCCc1cc(C(=O)O)nc2c(-c3c(C)cccc3C)c(C)nn12
InChIInChI=1S/C19H21N3O2/c1-5-7-14-10-15(19(23)24)20-18-17(13(4)21-22(14)18)16-11(2)8-6-9-12(16)3/h6,8-10H,5,7H2,1-4H3,(H,23,24)
InChIKeyITTRVVXTQQQPFF-UHFFFAOYSA-N
XLogP3.97
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,6-dimethylphenyl)-2,7-dipropylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 137481196
3-(2-chlorophenyl)-2-methyl-7-propylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 137481079
3-(2,6-dimethylphenyl)-2-methyl-7-propylpyrazolo[1,5-a]pyrimidin-5-amine
CID 137480985
1-(2-methyl-3-phenyl-7-propylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone
CID 158588228
ethyl 3-(3-fluorophenyl)-2-methyl-7-propylpyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 137481252
ethyl 3-(2,6-dimethylphenyl)-2,6-dimethyl-7-propylpyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 167337518
7-(4-cyanoanilino)-3-(2,6-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 137480972
methyl 7-chloro-3-(2,6-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 137480920
2-(dimethylcarbamoyl)-3-(2,6-dimethylphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 137481190
2-methyl-3-(4-methylphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 71563419
1-(2-methoxyphenyl)-5-propylpyrazole-3-carboxylic acid
CID 82361800
ethyl 2-methyl-3-(3-methylphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 137481289

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylphenyl)-2-methyl-7-propylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The IUPAC name of 3-(2,6-dimethylphenyl)-2-methyl-7-propylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid (CID 137481122) is 3-(2,6-dimethylphenyl)-2-methyl-7-propylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 3-(2,6-dimethylphenyl)-2-methyl-7-propylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The canonical SMILES for 3-(2,6-dimethylphenyl)-2-methyl-7-propylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid is CCCc1cc(C(=O)O)nc2c(-c3c(C)cccc3C)c(C)nn12.
What is the InChIKey of 3-(2,6-dimethylphenyl)-2-methyl-7-propylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The InChIKey is ITTRVVXTQQQPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-5-7-14-10-15(19(23)24)20-18-17(13(4)21-22(14)18)16-11(2)8-6-9-12(16)3/h6,8-10H,5,7H2,1-4H3,(H,23,24).
What are the key properties of 3-(2,6-dimethylphenyl)-2-methyl-7-propylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
3-(2,6-dimethylphenyl)-2-methyl-7-propylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid has a molecular weight of 323.40 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylphenyl)-2-methyl-7-propylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 137481122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).