(7S)-N-(2-chloro-5-methoxyphenyl)-3-methyl-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide

C21H19ClN4O3 — CID 135953762

IUPAC(7S)-N-(2-chloro-5-methoxyphenyl)-3-methyl-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCOc1ccc(Cl)c(NC(=O)[C@@H]2CC(=O)Nc3c(C)c(-c4ccccc4)nn32)c1
InChIInChI=1S/C21H19ClN4O3/c1-12-19(13-6-4-3-5-7-13)25-26-17(11-18(27)24-20(12)26)21(28)23-16-10-14(29-2)8-9-15(16)22/h3-10,17H,11H2,1-2H3,(H,23,28)(H,24,27)/t17-/m0/s1
InChIKeyMUZMRKHWKZZFOG-KRWDZBQOSA-N
MW410.86 g/mol
LogP4.04
Rot. Bonds4

About (7S)-N-(2-chloro-5-methoxyphenyl)-3-methyl-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide

(7S)-N-(2-chloro-5-methoxyphenyl)-3-methyl-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 135953762) has the molecular formula C21H19ClN4O3 and a molecular weight of 410.86 g/mol. Its IUPAC name is (7S)-N-(2-chloro-5-methoxyphenyl)-3-methyl-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name(7S)-N-(2-chloro-5-methoxyphenyl)-3-methyl-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID135953762
Molecular FormulaC21H19ClN4O3
Molecular Weight410.86 g/mol
Exact Mass410.11
IUPAC Name(7S)-N-(2-chloro-5-methoxyphenyl)-3-methyl-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCOc1ccc(Cl)c(NC(=O)[C@@H]2CC(=O)Nc3c(C)c(-c4ccccc4)nn32)c1
InChIInChI=1S/C21H19ClN4O3/c1-12-19(13-6-4-3-5-7-13)25-26-17(11-18(27)24-20(12)26)21(28)23-16-10-14(29-2)8-9-15(16)22/h3-10,17H,11H2,1-2H3,(H,23,28)(H,24,27)/t17-/m0/s1
InChIKeyMUZMRKHWKZZFOG-KRWDZBQOSA-N
XLogP4.04
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.86
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(7R)-N-(2,4-dimethoxyphenyl)-3-methyl-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135940719
(7R)-N-(3-fluorophenyl)-2-(4-methoxyphenyl)-3-methyl-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135940937
3-methyl-5-oxo-2-phenyl-N-[2-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135654484
(7R)-N-(2-chloro-5-methoxyphenyl)-3-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135902018
N-(3-acetamidophenyl)-3-methyl-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135655659
N-(3,4-difluorophenyl)-2-(4-methoxyphenyl)-3-methyl-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135655480
N,2-bis(3-chlorophenyl)-3-methyl-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135654681
2-(4-chlorophenyl)-3-methyl-5-oxo-N-(2,3,4-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135654824
(7R)-N-(2-chlorophenyl)-2-(4-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135902400
N-(3-chlorophenyl)-2-(4-fluorophenyl)-3-methyl-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135654655
methyl 4-[[2-(4-chlorophenyl)-3-methyl-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]benzoate
CID 135654660
(7R)-N-(4-ethoxyphenyl)-2-(4-fluorophenyl)-3-methyl-5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135940607

Frequently Asked Questions

What is the IUPAC name of (7S)-N-(2-chloro-5-methoxyphenyl)-3-methyl-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of (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) is (7S)-N-(2-chloro-5-methoxyphenyl)-3-methyl-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for (7S)-N-(2-chloro-5-methoxyphenyl)-3-methyl-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for (7S)-N-(2-chloro-5-methoxyphenyl)-3-methyl-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide is COc1ccc(Cl)c(NC(=O)[C@@H]2CC(=O)Nc3c(C)c(-c4ccccc4)nn32)c1.
What is the InChIKey of (7S)-N-(2-chloro-5-methoxyphenyl)-3-methyl-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is MUZMRKHWKZZFOG-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H19ClN4O3/c1-12-19(13-6-4-3-5-7-13)25-26-17(11-18(27)24-20(12)26)21(28)23-16-10-14(29-2)8-9-15(16)22/h3-10,17H,11H2,1-2H3,(H,23,28)(H,24,27)/t17-/m0/s1.
What are the key properties of (7S)-N-(2-chloro-5-methoxyphenyl)-3-methyl-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide?
(7S)-N-(2-chloro-5-methoxyphenyl)-3-methyl-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 410.86 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-N-(2-chloro-5-methoxyphenyl)-3-methyl-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 135953762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).