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

C23H23N5O2 — CID 53100647

IUPACN-[(4-ethylphenyl)methyl]-6-methyl-1-(4-methylphenyl)-7-oxopyrazolo[4,5-d]pyrimidine-3-carboxamide
SMILESCCc1ccc(CNC(=O)c2nn(-c3ccc(C)cc3)c3c(=O)n(C)cnc23)cc1
InChIInChI=1S/C23H23N5O2/c1-4-16-7-9-17(10-8-16)13-24-22(29)20-19-21(23(30)27(3)14-25-19)28(26-20)18-11-5-15(2)6-12-18/h5-12,14H,4,13H2,1-3H3,(H,24,29)
InChIKeyIZFOHQJRSAEVLY-UHFFFAOYSA-N
MW401.47 g/mol
LogP2.92
Rot. Bonds5

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

N-[(4-ethylphenyl)methyl]-6-methyl-1-(4-methylphenyl)-7-oxopyrazolo[4,5-d]pyrimidine-3-carboxamide (PubChem CID 53100647) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-6-methyl-1-(4-methylphenyl)-7-oxopyrazolo[4,5-d]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-6-methyl-1-(4-methylphenyl)-7-oxopyrazolo[4,5-d]pyrimidine-3-carboxamide
PubChem CID53100647
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC NameN-[(4-ethylphenyl)methyl]-6-methyl-1-(4-methylphenyl)-7-oxopyrazolo[4,5-d]pyrimidine-3-carboxamide
SMILESCCc1ccc(CNC(=O)c2nn(-c3ccc(C)cc3)c3c(=O)n(C)cnc23)cc1
InChIInChI=1S/C23H23N5O2/c1-4-16-7-9-17(10-8-16)13-24-22(29)20-19-21(23(30)27(3)14-25-19)28(26-20)18-11-5-15(2)6-12-18/h5-12,14H,4,13H2,1-3H3,(H,24,29)
InChIKeyIZFOHQJRSAEVLY-UHFFFAOYSA-N
XLogP2.92
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-methyl-1-(4-methylphenyl)-7-oxo-N-(thiophen-2-ylmethyl)pyrazolo[4,5-d]pyrimidine-3-carboxamide
CID 53100637
N-[2-(cyclohexen-1-yl)ethyl]-6-methyl-1-(4-methylphenyl)-7-oxopyrazolo[4,5-d]pyrimidine-3-carboxamide
CID 53100604
N-(4-methoxyphenyl)-6-methyl-1-(4-methylphenyl)-7-oxopyrazolo[4,5-d]pyrimidine-3-carboxamide
CID 53100654
N-[(3-methoxyphenyl)methyl]-6-methyl-7-oxo-1-phenylpyrazolo[4,5-d]pyrimidine-3-carboxamide
CID 53100569
6-ethoxy-1-(4-methylphenyl)-4-oxo-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 53157517
N,4-bis[(4-fluorophenyl)methyl]-2-(4-methylphenyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 46004746
N,1-bis(3-chlorophenyl)-6-methyl-7-oxopyrazolo[4,5-d]pyrimidine-3-carboxamide
CID 53043099
N-benzyl-6-methoxy-1-(4-methylphenyl)-4-oxopyridazine-3-carboxamide
CID 53157495
N-[[4-(dimethylamino)phenyl]methyl]-6-methoxy-1-(4-methylphenyl)-4-oxopyridazine-3-carboxamide
CID 53157498
4-(3,5-dimethylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]benzamide
CID 9112873
5-amino-1-methyl-6-oxo-N-[(4-phosphanylphenyl)methyl]pyrimidine-4-carboxamide
CID 142236402
1-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 42492084

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-6-methyl-1-(4-methylphenyl)-7-oxopyrazolo[4,5-d]pyrimidine-3-carboxamide?
The IUPAC name of N-[(4-ethylphenyl)methyl]-6-methyl-1-(4-methylphenyl)-7-oxopyrazolo[4,5-d]pyrimidine-3-carboxamide (CID 53100647) is N-[(4-ethylphenyl)methyl]-6-methyl-1-(4-methylphenyl)-7-oxopyrazolo[4,5-d]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-6-methyl-1-(4-methylphenyl)-7-oxopyrazolo[4,5-d]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-6-methyl-1-(4-methylphenyl)-7-oxopyrazolo[4,5-d]pyrimidine-3-carboxamide is CCc1ccc(CNC(=O)c2nn(-c3ccc(C)cc3)c3c(=O)n(C)cnc23)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-6-methyl-1-(4-methylphenyl)-7-oxopyrazolo[4,5-d]pyrimidine-3-carboxamide?
The InChIKey is IZFOHQJRSAEVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-4-16-7-9-17(10-8-16)13-24-22(29)20-19-21(23(30)27(3)14-25-19)28(26-20)18-11-5-15(2)6-12-18/h5-12,14H,4,13H2,1-3H3,(H,24,29).
What are the key properties of N-[(4-ethylphenyl)methyl]-6-methyl-1-(4-methylphenyl)-7-oxopyrazolo[4,5-d]pyrimidine-3-carboxamide?
N-[(4-ethylphenyl)methyl]-6-methyl-1-(4-methylphenyl)-7-oxopyrazolo[4,5-d]pyrimidine-3-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-6-methyl-1-(4-methylphenyl)-7-oxopyrazolo[4,5-d]pyrimidine-3-carboxamide is sourced from PubChem (CID 53100647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).