N-[(4-chlorophenyl)methyl]-2,6-dimethyl-5-(2-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

C23H23ClN4O2 — CID 53049629

IUPACN-[(4-chlorophenyl)methyl]-2,6-dimethyl-5-(2-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCc1cc2n(n1)CC(C)(C(=O)NCc1ccc(Cl)cc1)N(c1ccccc1C)C2=O
InChIInChI=1S/C23H23ClN4O2/c1-15-6-4-5-7-19(15)28-21(29)20-12-16(2)26-27(20)14-23(28,3)22(30)25-13-17-8-10-18(24)11-9-17/h4-12H,13-14H2,1-3H3,(H,25,30)
InChIKeyNOELKCSUXWMDPR-UHFFFAOYSA-N
MW422.92 g/mol
LogP3.89
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-2,6-dimethyl-5-(2-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

N-[(4-chlorophenyl)methyl]-2,6-dimethyl-5-(2-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 53049629) has the molecular formula C23H23ClN4O2 and a molecular weight of 422.92 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2,6-dimethyl-5-(2-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2,6-dimethyl-5-(2-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID53049629
Molecular FormulaC23H23ClN4O2
Molecular Weight422.92 g/mol
Exact Mass422.15
IUPAC NameN-[(4-chlorophenyl)methyl]-2,6-dimethyl-5-(2-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCc1cc2n(n1)CC(C)(C(=O)NCc1ccc(Cl)cc1)N(c1ccccc1C)C2=O
InChIInChI=1S/C23H23ClN4O2/c1-15-6-4-5-7-19(15)28-21(29)20-12-16(2)26-27(20)14-23(28,3)22(30)25-13-17-8-10-18(24)11-9-17/h4-12H,13-14H2,1-3H3,(H,25,30)
InChIKeyNOELKCSUXWMDPR-UHFFFAOYSA-N
XLogP3.89
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.92
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6R)-N-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95063279
(6R)-N-[(4-chlorophenyl)methyl]-5-(3-methoxyphenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95063271
(6S)-N-benzyl-2-tert-butyl-5-(4-chloro-2-methylphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92740926
(6S)-N-benzyl-2-(4-methoxyphenyl)-6-methyl-5-(2-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739319
ethyl 6-[(4-fluorophenyl)methylcarbamoyl]-6-methyl-5-(2-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 46279336
(6S)-N-benzyl-5-(4-fluorophenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 93065003
(6S)-N-benzyl-5-(4-chlorophenyl)-6-methyl-4-oxo-2-phenyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92739052
5-(5-chloro-2-methylphenyl)-6-methyl-N-[(4-methylphenyl)methyl]-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 53049275
(6S)-5-(5-chloro-2-methylphenyl)-6-methyl-N-[(4-methylphenyl)methyl]-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062562
N-benzyl-5-(4-methoxyphenyl)-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 53003559
(6S)-5-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-2,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 93064979
(6S)-N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-5-(2-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95063218

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2,6-dimethyl-5-(2-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2,6-dimethyl-5-(2-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 53049629) is N-[(4-chlorophenyl)methyl]-2,6-dimethyl-5-(2-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2,6-dimethyl-5-(2-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2,6-dimethyl-5-(2-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is Cc1cc2n(n1)CC(C)(C(=O)NCc1ccc(Cl)cc1)N(c1ccccc1C)C2=O.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2,6-dimethyl-5-(2-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is NOELKCSUXWMDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O2/c1-15-6-4-5-7-19(15)28-21(29)20-12-16(2)26-27(20)14-23(28,3)22(30)25-13-17-8-10-18(24)11-9-17/h4-12H,13-14H2,1-3H3,(H,25,30).
What are the key properties of N-[(4-chlorophenyl)methyl]-2,6-dimethyl-5-(2-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
N-[(4-chlorophenyl)methyl]-2,6-dimethyl-5-(2-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 422.92 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2,6-dimethyl-5-(2-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 53049629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).