5-chloro-3,6-dimethyl-N-(2-pyrazol-1-ylphenyl)-1-benzofuran-2-carboxamide

C20H16ClN3O2 — CID 118984810

IUPAC5-chloro-3,6-dimethyl-N-(2-pyrazol-1-ylphenyl)-1-benzofuran-2-carboxamide
SMILESCc1cc2oc(C(=O)Nc3ccccc3-n3cccn3)c(C)c2cc1Cl
InChIInChI=1S/C20H16ClN3O2/c1-12-10-18-14(11-15(12)21)13(2)19(26-18)20(25)23-16-6-3-4-7-17(16)24-9-5-8-22-24/h3-11H,1-2H3,(H,23,25)
InChIKeyJAIVZUZBALWLEW-UHFFFAOYSA-N
MW365.82 g/mol
LogP5.14
Rot. Bonds3

About 5-chloro-3,6-dimethyl-N-(2-pyrazol-1-ylphenyl)-1-benzofuran-2-carboxamide

5-chloro-3,6-dimethyl-N-(2-pyrazol-1-ylphenyl)-1-benzofuran-2-carboxamide (PubChem CID 118984810) has the molecular formula C20H16ClN3O2 and a molecular weight of 365.82 g/mol. Its IUPAC name is 5-chloro-3,6-dimethyl-N-(2-pyrazol-1-ylphenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-3,6-dimethyl-N-(2-pyrazol-1-ylphenyl)-1-benzofuran-2-carboxamide
PubChem CID118984810
Molecular FormulaC20H16ClN3O2
Molecular Weight365.82 g/mol
Exact Mass365.09
IUPAC Name5-chloro-3,6-dimethyl-N-(2-pyrazol-1-ylphenyl)-1-benzofuran-2-carboxamide
SMILESCc1cc2oc(C(=O)Nc3ccccc3-n3cccn3)c(C)c2cc1Cl
InChIInChI=1S/C20H16ClN3O2/c1-12-10-18-14(11-15(12)21)13(2)19(26-18)20(25)23-16-6-3-4-7-17(16)24-9-5-8-22-24/h3-11H,1-2H3,(H,23,25)
InChIKeyJAIVZUZBALWLEW-UHFFFAOYSA-N
XLogP5.14
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.82
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-3,6-dimethyl-N-[2-(4-methylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide
CID 121238583
5-chloro-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide
CID 55674048
5-chloro-3,6-dimethyl-N-[4-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide
CID 20894854
5-chloro-N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-3,6-dimethyl-1-benzofuran-2-carboxamide
CID 35767540
5-chloro-3,6-dimethyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide
CID 852712
6-chloro-N-(2-pyrazol-1-ylphenyl)pyridazine-3-carboxamide
CID 61041740
3-bromo-2,6-dichloro-N-(2-pyrazol-1-ylphenyl)benzamide
CID 132992182
7-chloro-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide
CID 55674253
4-propan-2-yl-N-(2-pyrazol-1-ylphenyl)benzamide
CID 47045211
3-methyl-N-(2-pyrazol-1-ylphenyl)but-2-enamide
CID 47234607
1,1-dimethyl-3-(2-pyrazol-1-ylphenyl)urea
CID 110470431
N-(2-bromophenyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 27843870

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3,6-dimethyl-N-(2-pyrazol-1-ylphenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-3,6-dimethyl-N-(2-pyrazol-1-ylphenyl)-1-benzofuran-2-carboxamide (CID 118984810) is 5-chloro-3,6-dimethyl-N-(2-pyrazol-1-ylphenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-3,6-dimethyl-N-(2-pyrazol-1-ylphenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-3,6-dimethyl-N-(2-pyrazol-1-ylphenyl)-1-benzofuran-2-carboxamide is Cc1cc2oc(C(=O)Nc3ccccc3-n3cccn3)c(C)c2cc1Cl.
What is the InChIKey of 5-chloro-3,6-dimethyl-N-(2-pyrazol-1-ylphenyl)-1-benzofuran-2-carboxamide?
The InChIKey is JAIVZUZBALWLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O2/c1-12-10-18-14(11-15(12)21)13(2)19(26-18)20(25)23-16-6-3-4-7-17(16)24-9-5-8-22-24/h3-11H,1-2H3,(H,23,25).
What are the key properties of 5-chloro-3,6-dimethyl-N-(2-pyrazol-1-ylphenyl)-1-benzofuran-2-carboxamide?
5-chloro-3,6-dimethyl-N-(2-pyrazol-1-ylphenyl)-1-benzofuran-2-carboxamide has a molecular weight of 365.82 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3,6-dimethyl-N-(2-pyrazol-1-ylphenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 118984810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).