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

C17H11Cl2N3O2 — CID 59450175

IUPAC1-(2,4-dichlorophenyl)-6-methyl-[1]benzofuro[3,2-c]pyrazole-3-carboxamide
SMILESCc1ccc2c(c1)oc1c(C(N)=O)nn(-c3ccc(Cl)cc3Cl)c12
InChIInChI=1S/C17H11Cl2N3O2/c1-8-2-4-10-13(6-8)24-16-14(17(20)23)21-22(15(10)16)12-5-3-9(18)7-11(12)19/h2-7H,1H3,(H2,20,23)
InChIKeyRUIXECLDVSRVNR-UHFFFAOYSA-N
MW360.20 g/mol
LogP4.49
Rot. Bonds2

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

1-(2,4-dichlorophenyl)-6-methyl-[1]benzofuro[3,2-c]pyrazole-3-carboxamide (PubChem CID 59450175) has the molecular formula C17H11Cl2N3O2 and a molecular weight of 360.20 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-6-methyl-[1]benzofuro[3,2-c]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-6-methyl-[1]benzofuro[3,2-c]pyrazole-3-carboxamide
PubChem CID59450175
Molecular FormulaC17H11Cl2N3O2
Molecular Weight360.20 g/mol
Exact Mass359.02
IUPAC Name1-(2,4-dichlorophenyl)-6-methyl-[1]benzofuro[3,2-c]pyrazole-3-carboxamide
SMILESCc1ccc2c(c1)oc1c(C(N)=O)nn(-c3ccc(Cl)cc3Cl)c12
InChIInChI=1S/C17H11Cl2N3O2/c1-8-2-4-10-13(6-8)24-16-14(17(20)23)21-22(15(10)16)12-5-3-9(18)7-11(12)19/h2-7H,1H3,(H2,20,23)
InChIKeyRUIXECLDVSRVNR-UHFFFAOYSA-N
XLogP4.49
TPSA74.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.20
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
1-(2,4-dichlorophenyl)-6-methyl-N-morpholin-4-yl-[1]benzofuro[3,2-c]pyrazole-3-carboxamide
CID 59450137
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
6-chloro-1-(2,4-difluorophenyl)-N-(5-ethyl-2-methylheptyl)-[1]benzofuro[3,2-c]pyrazole-3-carboxamide
CID 70849003

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-6-methyl-[1]benzofuro[3,2-c]pyrazole-3-carboxamide?
The IUPAC name of 1-(2,4-dichlorophenyl)-6-methyl-[1]benzofuro[3,2-c]pyrazole-3-carboxamide (CID 59450175) is 1-(2,4-dichlorophenyl)-6-methyl-[1]benzofuro[3,2-c]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-6-methyl-[1]benzofuro[3,2-c]pyrazole-3-carboxamide?
The canonical SMILES for 1-(2,4-dichlorophenyl)-6-methyl-[1]benzofuro[3,2-c]pyrazole-3-carboxamide is Cc1ccc2c(c1)oc1c(C(N)=O)nn(-c3ccc(Cl)cc3Cl)c12.
What is the InChIKey of 1-(2,4-dichlorophenyl)-6-methyl-[1]benzofuro[3,2-c]pyrazole-3-carboxamide?
The InChIKey is RUIXECLDVSRVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2N3O2/c1-8-2-4-10-13(6-8)24-16-14(17(20)23)21-22(15(10)16)12-5-3-9(18)7-11(12)19/h2-7H,1H3,(H2,20,23).
What are the key properties of 1-(2,4-dichlorophenyl)-6-methyl-[1]benzofuro[3,2-c]pyrazole-3-carboxamide?
1-(2,4-dichlorophenyl)-6-methyl-[1]benzofuro[3,2-c]pyrazole-3-carboxamide has a molecular weight of 360.20 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-6-methyl-[1]benzofuro[3,2-c]pyrazole-3-carboxamide is sourced from PubChem (CID 59450175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).