(7S)-2-methyl-5-oxo-3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxylic acid

C14H13N3O3 — CID 135968784

IUPAC(7S)-2-methyl-5-oxo-3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxylic acid
SMILESCc1nn2c(c1-c1ccccc1)NC(=O)C[C@H]2C(=O)O
InChIInChI=1S/C14H13N3O3/c1-8-12(9-5-3-2-4-6-9)13-15-11(18)7-10(14(19)20)17(13)16-8/h2-6,10H,7H2,1H3,(H,15,18)(H,19,20)/t10-/m0/s1
InChIKeyUTXCSYPGBCGZMO-JTQLQIEISA-N
MW271.28 g/mol
LogP1.83
Rot. Bonds2

About (7S)-2-methyl-5-oxo-3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxylic acid

(7S)-2-methyl-5-oxo-3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxylic acid (PubChem CID 135968784) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is (7S)-2-methyl-5-oxo-3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name(7S)-2-methyl-5-oxo-3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxylic acid
PubChem CID135968784
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name(7S)-2-methyl-5-oxo-3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxylic acid
SMILESCc1nn2c(c1-c1ccccc1)NC(=O)C[C@H]2C(=O)O
InChIInChI=1S/C14H13N3O3/c1-8-12(9-5-3-2-4-6-9)13-15-11(18)7-10(14(19)20)17(13)16-8/h2-6,10H,7H2,1H3,(H,15,18)(H,19,20)/t10-/m0/s1
InChIKeyUTXCSYPGBCGZMO-JTQLQIEISA-N
XLogP1.83
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methoxymethyl)-5-oxo-3-phenyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135658864
3-methyl-5-oxo-2-phenyl-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135654484
N-(3,4-difluorophenyl)-2-(methoxymethyl)-5-oxo-3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135658690
N-(3-acetamidophenyl)-3-methyl-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135655659
2-[6-methyl-7-(4-methylphenyl)-2-oxo-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]acetic acid
CID 135656063
2,5,7-trimethyl-3-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136840482
(7R)-N-(2,4-dimethoxyphenyl)-3-methyl-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135940719
(7S)-N-(2-chloro-5-methoxyphenyl)-3-methyl-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135953762
3,4-dimethyl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 155424536
ethyl (7R)-7-(4-chlorophenyl)-2,5-dimethyl-3-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 135885335
4-benzoyl-3-methyl-1-pyrimidin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135654551
ethyl 7-(4-methoxyphenyl)-2,5-dimethyl-3-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 135659240

Frequently Asked Questions

What is the IUPAC name of (7S)-2-methyl-5-oxo-3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
The IUPAC name of (7S)-2-methyl-5-oxo-3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxylic acid (CID 135968784) is (7S)-2-methyl-5-oxo-3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxylic acid.
What is the SMILES notation for (7S)-2-methyl-5-oxo-3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
The canonical SMILES for (7S)-2-methyl-5-oxo-3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxylic acid is Cc1nn2c(c1-c1ccccc1)NC(=O)C[C@H]2C(=O)O.
What is the InChIKey of (7S)-2-methyl-5-oxo-3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
The InChIKey is UTXCSYPGBCGZMO-JTQLQIEISA-N. The full InChI is InChI=1S/C14H13N3O3/c1-8-12(9-5-3-2-4-6-9)13-15-11(18)7-10(14(19)20)17(13)16-8/h2-6,10H,7H2,1H3,(H,15,18)(H,19,20)/t10-/m0/s1.
What are the key properties of (7S)-2-methyl-5-oxo-3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
(7S)-2-methyl-5-oxo-3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxylic acid has a molecular weight of 271.28 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-2-methyl-5-oxo-3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 135968784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).