N-(2,4-dichlorophenyl)-5-[(4-methoxyphenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide

C21H18Cl2N4O3 — CID 1474582

IUPACN-(2,4-dichlorophenyl)-5-[(4-methoxyphenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESCOc1ccc(CN2CCn3ncc(C(=O)Nc4ccc(Cl)cc4Cl)c3C2=O)cc1
InChIInChI=1S/C21H18Cl2N4O3/c1-30-15-5-2-13(3-6-15)12-26-8-9-27-19(21(26)29)16(11-24-27)20(28)25-18-7-4-14(22)10-17(18)23/h2-7,10-11H,8-9,12H2,1H3,(H,25,28)
InChIKeyRJSFZJHQSQJXNS-UHFFFAOYSA-N
MW445.31 g/mol
LogP4.11
Rot. Bonds5

About N-(2,4-dichlorophenyl)-5-[(4-methoxyphenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide

N-(2,4-dichlorophenyl)-5-[(4-methoxyphenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 1474582) has the molecular formula C21H18Cl2N4O3 and a molecular weight of 445.31 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-5-[(4-methoxyphenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-5-[(4-methoxyphenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
PubChem CID1474582
Molecular FormulaC21H18Cl2N4O3
Molecular Weight445.31 g/mol
Exact Mass444.08
IUPAC NameN-(2,4-dichlorophenyl)-5-[(4-methoxyphenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESCOc1ccc(CN2CCn3ncc(C(=O)Nc4ccc(Cl)cc4Cl)c3C2=O)cc1
InChIInChI=1S/C21H18Cl2N4O3/c1-30-15-5-2-13(3-6-15)12-26-8-9-27-19(21(26)29)16(11-24-27)20(28)25-18-7-4-14(22)10-17(18)23/h2-7,10-11H,8-9,12H2,1H3,(H,25,28)
InChIKeyRJSFZJHQSQJXNS-UHFFFAOYSA-N
XLogP4.11
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.31
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-5-[(4-methoxyphenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of N-(2,4-dichlorophenyl)-5-[(4-methoxyphenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide (CID 1474582) is N-(2,4-dichlorophenyl)-5-[(4-methoxyphenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-5-[(4-methoxyphenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-5-[(4-methoxyphenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide is COc1ccc(CN2CCn3ncc(C(=O)Nc4ccc(Cl)cc4Cl)c3C2=O)cc1.
What is the InChIKey of N-(2,4-dichlorophenyl)-5-[(4-methoxyphenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is RJSFZJHQSQJXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N4O3/c1-30-15-5-2-13(3-6-15)12-26-8-9-27-19(21(26)29)16(11-24-27)20(28)25-18-7-4-14(22)10-17(18)23/h2-7,10-11H,8-9,12H2,1H3,(H,25,28).
What are the key properties of N-(2,4-dichlorophenyl)-5-[(4-methoxyphenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide?
N-(2,4-dichlorophenyl)-5-[(4-methoxyphenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 445.31 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-5-[(4-methoxyphenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 1474582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).