3-[(2-methylphenyl)carbamoyl]-7-thiophen-2-yl-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid

C19H16N4O3S — CID 136661164

IUPAC3-[(2-methylphenyl)carbamoyl]-7-thiophen-2-yl-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCc1ccccc1NC(=O)c1cnn2c1NC(C(=O)O)=CC2c1cccs1
InChIInChI=1S/C19H16N4O3S/c1-11-5-2-3-6-13(11)22-18(24)12-10-20-23-15(16-7-4-8-27-16)9-14(19(25)26)21-17(12)23/h2-10,15,21H,1H3,(H,22,24)(H,25,26)
InChIKeyNVUDISKQGHHTEX-UHFFFAOYSA-N
MW380.43 g/mol
LogP3.49
Rot. Bonds4

About 3-[(2-methylphenyl)carbamoyl]-7-thiophen-2-yl-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid

3-[(2-methylphenyl)carbamoyl]-7-thiophen-2-yl-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid (PubChem CID 136661164) has the molecular formula C19H16N4O3S and a molecular weight of 380.43 g/mol. Its IUPAC name is 3-[(2-methylphenyl)carbamoyl]-7-thiophen-2-yl-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name3-[(2-methylphenyl)carbamoyl]-7-thiophen-2-yl-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid
PubChem CID136661164
Molecular FormulaC19H16N4O3S
Molecular Weight380.43 g/mol
Exact Mass380.09
IUPAC Name3-[(2-methylphenyl)carbamoyl]-7-thiophen-2-yl-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCc1ccccc1NC(=O)c1cnn2c1NC(C(=O)O)=CC2c1cccs1
InChIInChI=1S/C19H16N4O3S/c1-11-5-2-3-6-13(11)22-18(24)12-10-20-23-15(16-7-4-8-27-16)9-14(19(25)26)21-17(12)23/h2-10,15,21H,1H3,(H,22,24)(H,25,26)
InChIKeyNVUDISKQGHHTEX-UHFFFAOYSA-N
XLogP3.49
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(7S)-7-(2-fluorophenyl)-3-[(2-methylphenyl)carbamoyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 136721873
(7R)-3-[(3,4-dimethylphenyl)carbamoyl]-7-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 136720349
(7S)-3-[(2-ethylphenyl)carbamoyl]-7-(4-fluorophenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 136698571
(7R)-7-(4-bromophenyl)-3-[(2-chlorophenyl)carbamoyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 136856801
(7S)-7-(2-fluorophenyl)-3-[(2-methoxyphenyl)carbamoyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 136721877
(7S)-7-(3-bromophenyl)-3-[(2-chlorophenyl)carbamoyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 136824940
(7S)-7-(2-chlorophenyl)-3-[(3,4-dimethylphenyl)carbamoyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 136698535
(7R)-7-(3-chlorophenyl)-3-[(2-methoxyphenyl)carbamoyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 136722025
7-(4-chlorophenyl)-3-(phenylcarbamoyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 135629516
(7S)-7-(2-fluorophenyl)-3-(phenylcarbamoyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 136721890
(7R)-7-(4-bromophenyl)-3-(phenylcarbamoyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 136856797
(7S)-7-(2-fluorophenyl)-3-[(4-fluorophenyl)carbamoyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 136919587

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylphenyl)carbamoyl]-7-thiophen-2-yl-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The IUPAC name of 3-[(2-methylphenyl)carbamoyl]-7-thiophen-2-yl-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid (CID 136661164) is 3-[(2-methylphenyl)carbamoyl]-7-thiophen-2-yl-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 3-[(2-methylphenyl)carbamoyl]-7-thiophen-2-yl-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The canonical SMILES for 3-[(2-methylphenyl)carbamoyl]-7-thiophen-2-yl-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid is Cc1ccccc1NC(=O)c1cnn2c1NC(C(=O)O)=CC2c1cccs1.
What is the InChIKey of 3-[(2-methylphenyl)carbamoyl]-7-thiophen-2-yl-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The InChIKey is NVUDISKQGHHTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3S/c1-11-5-2-3-6-13(11)22-18(24)12-10-20-23-15(16-7-4-8-27-16)9-14(19(25)26)21-17(12)23/h2-10,15,21H,1H3,(H,22,24)(H,25,26).
What are the key properties of 3-[(2-methylphenyl)carbamoyl]-7-thiophen-2-yl-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
3-[(2-methylphenyl)carbamoyl]-7-thiophen-2-yl-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid has a molecular weight of 380.43 g/mol, XLogP of 3.49, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylphenyl)carbamoyl]-7-thiophen-2-yl-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 136661164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).