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

C22H20Cl2N4O2 — CID 59450131

IUPAC1-(2,4-dichlorophenyl)-6-methyl-N-piperidin-1-yl-[1]benzofuro[3,2-c]pyrazole-3-carboxamide
SMILESCc1ccc2c(c1)oc1c(C(=O)NN3CCCCC3)nn(-c3ccc(Cl)cc3Cl)c12
InChIInChI=1S/C22H20Cl2N4O2/c1-13-5-7-15-18(11-13)30-21-19(22(29)26-27-9-3-2-4-10-27)25-28(20(15)21)17-8-6-14(23)12-16(17)24/h5-8,11-12H,2-4,9-10H2,1H3,(H,26,29)
InChIKeyJMCBVLXQJLOJDU-UHFFFAOYSA-N
MW443.33 g/mol
LogP5.52
Rot. Bonds3

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

1-(2,4-dichlorophenyl)-6-methyl-N-piperidin-1-yl-[1]benzofuro[3,2-c]pyrazole-3-carboxamide (PubChem CID 59450131) has the molecular formula C22H20Cl2N4O2 and a molecular weight of 443.33 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-6-methyl-N-piperidin-1-yl-[1]benzofuro[3,2-c]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-6-methyl-N-piperidin-1-yl-[1]benzofuro[3,2-c]pyrazole-3-carboxamide
PubChem CID59450131
Molecular FormulaC22H20Cl2N4O2
Molecular Weight443.33 g/mol
Exact Mass442.10
IUPAC Name1-(2,4-dichlorophenyl)-6-methyl-N-piperidin-1-yl-[1]benzofuro[3,2-c]pyrazole-3-carboxamide
SMILESCc1ccc2c(c1)oc1c(C(=O)NN3CCCCC3)nn(-c3ccc(Cl)cc3Cl)c12
InChIInChI=1S/C22H20Cl2N4O2/c1-13-5-7-15-18(11-13)30-21-19(22(29)26-27-9-3-2-4-10-27)25-28(20(15)21)17-8-6-14(23)12-16(17)24/h5-8,11-12H,2-4,9-10H2,1H3,(H,26,29)
InChIKeyJMCBVLXQJLOJDU-UHFFFAOYSA-N
XLogP5.52
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.33
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-chloropentyl)-6-methyl-N-piperidin-1-yl-[1]benzofuro[3,2-c]pyrazole-3-carboxamide
CID 46896998
N-(azepan-1-yl)-5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
CID 10506183
1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide;hydrochloride
CID 46837031
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide;sulfuric acid
CID 25026422
5-(4-cyclopropylphenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
CID 24991147
1-(2,4-dichlorophenyl)-5-(2-iodophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
CID 10650406
5-(cyclopentylmethyl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
CID 90036440
4-[4-[1-(2,4-dichlorophenyl)-4-methyl-3-(piperidin-1-ylcarbamoyl)pyrazol-5-yl]phenyl]benzoic acid
CID 155542177
1-(2,4-dichlorophenyl)-5-[4-(hydroxycarbamoyl)phenyl]-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
CID 162713195
N-(azepan-1-yl)-5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-4-ethylpyrazole-3-carboxamide
CID 123755410
3-(2,4-dichlorophenyl)-11-methyl-N-pyrrolidin-1-yl-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene-5-carboxamide
CID 118713746
N-(azepan-1-yl)-7-chloro-1-(2,4-dichlorophenyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride
CID 24968637

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-6-methyl-N-piperidin-1-yl-[1]benzofuro[3,2-c]pyrazole-3-carboxamide?
The IUPAC name of 1-(2,4-dichlorophenyl)-6-methyl-N-piperidin-1-yl-[1]benzofuro[3,2-c]pyrazole-3-carboxamide (CID 59450131) is 1-(2,4-dichlorophenyl)-6-methyl-N-piperidin-1-yl-[1]benzofuro[3,2-c]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-6-methyl-N-piperidin-1-yl-[1]benzofuro[3,2-c]pyrazole-3-carboxamide?
The canonical SMILES for 1-(2,4-dichlorophenyl)-6-methyl-N-piperidin-1-yl-[1]benzofuro[3,2-c]pyrazole-3-carboxamide is Cc1ccc2c(c1)oc1c(C(=O)NN3CCCCC3)nn(-c3ccc(Cl)cc3Cl)c12.
What is the InChIKey of 1-(2,4-dichlorophenyl)-6-methyl-N-piperidin-1-yl-[1]benzofuro[3,2-c]pyrazole-3-carboxamide?
The InChIKey is JMCBVLXQJLOJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N4O2/c1-13-5-7-15-18(11-13)30-21-19(22(29)26-27-9-3-2-4-10-27)25-28(20(15)21)17-8-6-14(23)12-16(17)24/h5-8,11-12H,2-4,9-10H2,1H3,(H,26,29).
What are the key properties of 1-(2,4-dichlorophenyl)-6-methyl-N-piperidin-1-yl-[1]benzofuro[3,2-c]pyrazole-3-carboxamide?
1-(2,4-dichlorophenyl)-6-methyl-N-piperidin-1-yl-[1]benzofuro[3,2-c]pyrazole-3-carboxamide has a molecular weight of 443.33 g/mol, XLogP of 5.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-6-methyl-N-piperidin-1-yl-[1]benzofuro[3,2-c]pyrazole-3-carboxamide is sourced from PubChem (CID 59450131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).