5-(1,3-benzodioxol-5-yl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide

C23H22Cl2N4O3 — CID 10983582

IUPAC5-(1,3-benzodioxol-5-yl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
SMILESCc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc2c(c1)OCO2
InChIInChI=1S/C23H22Cl2N4O3/c1-14-21(23(30)27-28-9-3-2-4-10-28)26-29(18-7-6-16(24)12-17(18)25)22(14)15-5-8-19-20(11-15)32-13-31-19/h5-8,11-12H,2-4,9-10,13H2,1H3,(H,27,30)
InChIKeyGFSVCXRIOLVTMV-UHFFFAOYSA-N
MW473.36 g/mol
LogP5.01
Rot. Bonds4

About 5-(1,3-benzodioxol-5-yl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide

5-(1,3-benzodioxol-5-yl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide (PubChem CID 10983582) has the molecular formula C23H22Cl2N4O3 and a molecular weight of 473.36 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-yl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
PubChem CID10983582
Molecular FormulaC23H22Cl2N4O3
Molecular Weight473.36 g/mol
Exact Mass472.11
IUPAC Name5-(1,3-benzodioxol-5-yl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
SMILESCc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc2c(c1)OCO2
InChIInChI=1S/C23H22Cl2N4O3/c1-14-21(23(30)27-28-9-3-2-4-10-28)26-29(18-7-6-16(24)12-17(18)25)22(14)15-5-8-19-20(11-15)32-13-31-19/h5-8,11-12H,2-4,9-10,13H2,1H3,(H,27,30)
InChIKeyGFSVCXRIOLVTMV-UHFFFAOYSA-N
XLogP5.01
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.36
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide?
The IUPAC name of 5-(1,3-benzodioxol-5-yl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide (CID 10983582) is 5-(1,3-benzodioxol-5-yl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide.
What is the SMILES notation for 5-(1,3-benzodioxol-5-yl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide?
The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide is Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc2c(c1)OCO2.
What is the InChIKey of 5-(1,3-benzodioxol-5-yl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide?
The InChIKey is GFSVCXRIOLVTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N4O3/c1-14-21(23(30)27-28-9-3-2-4-10-28)26-29(18-7-6-16(24)12-17(18)25)22(14)15-5-8-19-20(11-15)32-13-31-19/h5-8,11-12H,2-4,9-10,13H2,1H3,(H,27,30).
What are the key properties of 5-(1,3-benzodioxol-5-yl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide?
5-(1,3-benzodioxol-5-yl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide has a molecular weight of 473.36 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-yl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide is sourced from PubChem (CID 10983582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).