1-(2,4-dichlorophenyl)-6-methyl-N-morpholin-4-yl-[1]benzofuro[3,2-c]pyrazole-3-carboxamide

C21H18Cl2N4O3 — CID 59450137

IUPAC1-(2,4-dichlorophenyl)-6-methyl-N-morpholin-4-yl-[1]benzofuro[3,2-c]pyrazole-3-carboxamide
SMILESCc1ccc2c(c1)oc1c(C(=O)NN3CCOCC3)nn(-c3ccc(Cl)cc3Cl)c12
InChIInChI=1S/C21H18Cl2N4O3/c1-12-2-4-14-17(10-12)30-20-18(21(28)25-26-6-8-29-9-7-26)24-27(19(14)20)16-5-3-13(22)11-15(16)23/h2-5,10-11H,6-9H2,1H3,(H,25,28)
InChIKeyABUBFFJYPALUKU-UHFFFAOYSA-N
MW445.31 g/mol
LogP4.36
Rot. Bonds3

About 1-(2,4-dichlorophenyl)-6-methyl-N-morpholin-4-yl-[1]benzofuro[3,2-c]pyrazole-3-carboxamide

1-(2,4-dichlorophenyl)-6-methyl-N-morpholin-4-yl-[1]benzofuro[3,2-c]pyrazole-3-carboxamide (PubChem CID 59450137) has the molecular formula C21H18Cl2N4O3 and a molecular weight of 445.31 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-6-methyl-N-morpholin-4-yl-[1]benzofuro[3,2-c]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-6-methyl-N-morpholin-4-yl-[1]benzofuro[3,2-c]pyrazole-3-carboxamide
PubChem CID59450137
Molecular FormulaC21H18Cl2N4O3
Molecular Weight445.31 g/mol
Exact Mass444.08
IUPAC Name1-(2,4-dichlorophenyl)-6-methyl-N-morpholin-4-yl-[1]benzofuro[3,2-c]pyrazole-3-carboxamide
SMILESCc1ccc2c(c1)oc1c(C(=O)NN3CCOCC3)nn(-c3ccc(Cl)cc3Cl)c12
InChIInChI=1S/C21H18Cl2N4O3/c1-12-2-4-14-17(10-12)30-20-18(21(28)25-26-6-8-29-9-7-26)24-27(19(14)20)16-5-3-13(22)11-15(16)23/h2-5,10-11H,6-9H2,1H3,(H,25,28)
InChIKeyABUBFFJYPALUKU-UHFFFAOYSA-N
XLogP4.36
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.31
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(2,4-dichlorophenyl)-6-methyl-N-morpholin-4-yl-[1]benzofuro[3,2-c]pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,4-dichlorophenyl)-6-methyl-N-piperidin-1-yl-[1]benzofuro[3,2-c]pyrazole-3-carboxamide
CID 59450131
1-(2,4-dichlorophenyl)-6-methyl-N-pyrrolidin-1-yl-[1]benzofuro[3,2-c]pyrazole-3-carboxamide
CID 59450134
N-cyclohexyl-1-(2,4-dichlorophenyl)-6-methyl-[1]benzofuro[3,2-c]pyrazole-3-carboxamide
CID 59450173
N-(2-adamantyl)-1-(2,4-dichlorophenyl)-6-methyl-[1]benzofuro[3,2-c]pyrazole-3-carboxamide
CID 59450193
N-(1-adamantyl)-1-(2,4-dichlorophenyl)-6-methyl-[1]benzofuro[3,2-c]pyrazole-3-carboxamide
CID 59450194
1-(2,4-dichlorophenyl)-6-methyl-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-[1]benzofuro[3,2-c]pyrazole-3-carboxamide
CID 85470603
1-(2,4-dichlorophenyl)-6-methyl-N-[(2R,3R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]-[1]benzofuro[3,2-c]pyrazole-3-carboxamide
CID 90644817
1-(2,4-dichlorophenyl)-6-methyl-N-[(1R,2S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-[1]benzofuro[3,2-c]pyrazole-3-carboxamide
CID 90644818
1-(2,4-dichlorophenyl)-6-methyl-N-[(2S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-[1]benzofuro[3,2-c]pyrazole-3-carboxamide
CID 90644819
1-(2,4-difluorophenyl)-N-(5-ethyl-2-methylheptyl)-6-methyl-[1]benzofuro[3,2-c]pyrazole-3-carboxamide
CID 70849002
1-(5-chloropentyl)-6-methyl-N-piperidin-1-yl-[1]benzofuro[3,2-c]pyrazole-3-carboxamide
CID 46896998
1-(2,4-dichlorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-6-methyl-[1]benzofuro[3,2-c]pyrazole-3-carboxamide
CID 46897174

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-6-methyl-N-morpholin-4-yl-[1]benzofuro[3,2-c]pyrazole-3-carboxamide?
The IUPAC name of 1-(2,4-dichlorophenyl)-6-methyl-N-morpholin-4-yl-[1]benzofuro[3,2-c]pyrazole-3-carboxamide (CID 59450137) is 1-(2,4-dichlorophenyl)-6-methyl-N-morpholin-4-yl-[1]benzofuro[3,2-c]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-6-methyl-N-morpholin-4-yl-[1]benzofuro[3,2-c]pyrazole-3-carboxamide?
The canonical SMILES for 1-(2,4-dichlorophenyl)-6-methyl-N-morpholin-4-yl-[1]benzofuro[3,2-c]pyrazole-3-carboxamide is Cc1ccc2c(c1)oc1c(C(=O)NN3CCOCC3)nn(-c3ccc(Cl)cc3Cl)c12.
What is the InChIKey of 1-(2,4-dichlorophenyl)-6-methyl-N-morpholin-4-yl-[1]benzofuro[3,2-c]pyrazole-3-carboxamide?
The InChIKey is ABUBFFJYPALUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N4O3/c1-12-2-4-14-17(10-12)30-20-18(21(28)25-26-6-8-29-9-7-26)24-27(19(14)20)16-5-3-13(22)11-15(16)23/h2-5,10-11H,6-9H2,1H3,(H,25,28).
What are the key properties of 1-(2,4-dichlorophenyl)-6-methyl-N-morpholin-4-yl-[1]benzofuro[3,2-c]pyrazole-3-carboxamide?
1-(2,4-dichlorophenyl)-6-methyl-N-morpholin-4-yl-[1]benzofuro[3,2-c]pyrazole-3-carboxamide has a molecular weight of 445.31 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-6-methyl-N-morpholin-4-yl-[1]benzofuro[3,2-c]pyrazole-3-carboxamide is sourced from PubChem (CID 59450137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).