N,1-bis(3-chlorophenyl)-6-methyl-7-oxopyrazolo[4,5-d]pyrimidine-3-carboxamide

C19H13Cl2N5O2 — CID 53043099

IUPACN,1-bis(3-chlorophenyl)-6-methyl-7-oxopyrazolo[4,5-d]pyrimidine-3-carboxamide
SMILESCn1cnc2c(C(=O)Nc3cccc(Cl)c3)nn(-c3cccc(Cl)c3)c2c1=O
InChIInChI=1S/C19H13Cl2N5O2/c1-25-10-22-15-16(18(27)23-13-6-2-4-11(20)8-13)24-26(17(15)19(25)28)14-7-3-5-12(21)9-14/h2-10H,1H3,(H,23,27)
InChIKeyJQJUYPDNXMEDNU-UHFFFAOYSA-N
MW414.25 g/mol
LogP3.68
Rot. Bonds3

About N,1-bis(3-chlorophenyl)-6-methyl-7-oxopyrazolo[4,5-d]pyrimidine-3-carboxamide

N,1-bis(3-chlorophenyl)-6-methyl-7-oxopyrazolo[4,5-d]pyrimidine-3-carboxamide (PubChem CID 53043099) has the molecular formula C19H13Cl2N5O2 and a molecular weight of 414.25 g/mol. Its IUPAC name is N,1-bis(3-chlorophenyl)-6-methyl-7-oxopyrazolo[4,5-d]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN,1-bis(3-chlorophenyl)-6-methyl-7-oxopyrazolo[4,5-d]pyrimidine-3-carboxamide
PubChem CID53043099
Molecular FormulaC19H13Cl2N5O2
Molecular Weight414.25 g/mol
Exact Mass413.04
IUPAC NameN,1-bis(3-chlorophenyl)-6-methyl-7-oxopyrazolo[4,5-d]pyrimidine-3-carboxamide
SMILESCn1cnc2c(C(=O)Nc3cccc(Cl)c3)nn(-c3cccc(Cl)c3)c2c1=O
InChIInChI=1S/C19H13Cl2N5O2/c1-25-10-22-15-16(18(27)23-13-6-2-4-11(20)8-13)24-26(17(15)19(25)28)14-7-3-5-12(21)9-14/h2-10H,1H3,(H,23,27)
InChIKeyJQJUYPDNXMEDNU-UHFFFAOYSA-N
XLogP3.68
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.25
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-chlorophenyl)-6-methyl-7-oxo-N-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-d]pyrimidine-3-carboxamide
CID 53100457
N-(4-methoxyphenyl)-6-methyl-1-(4-methylphenyl)-7-oxopyrazolo[4,5-d]pyrimidine-3-carboxamide
CID 53100654
N-(3-chlorophenyl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 23828047
N-(3-chlorophenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
CID 84550042
N-[(4-ethylphenyl)methyl]-6-methyl-1-(4-methylphenyl)-7-oxopyrazolo[4,5-d]pyrimidine-3-carboxamide
CID 53100647
1-(3-chloro-4-fluorophenyl)-N-(3-chlorophenyl)-5-methyltriazole-4-carboxamide
CID 58191737
N-(3-methylphenyl)-4-oxo-1-phenylcinnoline-3-carboxamide
CID 53169689
1-(3-chlorophenyl)-N-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1,2,4-triazole-3-carboxamide
CID 50745403
5-amino-1-(3-chlorophenyl)-N-(3-methoxyphenyl)triazole-4-carboxamide
CID 17015748
N-(3-fluorophenyl)-2-(4-fluorophenyl)-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 53088768
1-(3-chlorophenyl)-5-methyl-N-(4-methylphenyl)triazole-4-carboxamide
CID 2137572
N-[2-(cyclohexen-1-yl)ethyl]-6-methyl-1-(4-methylphenyl)-7-oxopyrazolo[4,5-d]pyrimidine-3-carboxamide
CID 53100604

Frequently Asked Questions

What is the IUPAC name of N,1-bis(3-chlorophenyl)-6-methyl-7-oxopyrazolo[4,5-d]pyrimidine-3-carboxamide?
The IUPAC name of N,1-bis(3-chlorophenyl)-6-methyl-7-oxopyrazolo[4,5-d]pyrimidine-3-carboxamide (CID 53043099) is N,1-bis(3-chlorophenyl)-6-methyl-7-oxopyrazolo[4,5-d]pyrimidine-3-carboxamide.
What is the SMILES notation for N,1-bis(3-chlorophenyl)-6-methyl-7-oxopyrazolo[4,5-d]pyrimidine-3-carboxamide?
The canonical SMILES for N,1-bis(3-chlorophenyl)-6-methyl-7-oxopyrazolo[4,5-d]pyrimidine-3-carboxamide is Cn1cnc2c(C(=O)Nc3cccc(Cl)c3)nn(-c3cccc(Cl)c3)c2c1=O.
What is the InChIKey of N,1-bis(3-chlorophenyl)-6-methyl-7-oxopyrazolo[4,5-d]pyrimidine-3-carboxamide?
The InChIKey is JQJUYPDNXMEDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2N5O2/c1-25-10-22-15-16(18(27)23-13-6-2-4-11(20)8-13)24-26(17(15)19(25)28)14-7-3-5-12(21)9-14/h2-10H,1H3,(H,23,27).
What are the key properties of N,1-bis(3-chlorophenyl)-6-methyl-7-oxopyrazolo[4,5-d]pyrimidine-3-carboxamide?
N,1-bis(3-chlorophenyl)-6-methyl-7-oxopyrazolo[4,5-d]pyrimidine-3-carboxamide has a molecular weight of 414.25 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-bis(3-chlorophenyl)-6-methyl-7-oxopyrazolo[4,5-d]pyrimidine-3-carboxamide is sourced from PubChem (CID 53043099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).