1-(2,4-dichlorophenyl)-6-methyl-N-piperidin-1-yl-4H-indeno[2,1-d]pyrazole-3-carboxamide

C23H22Cl2N4O — CID 10252734

IUPAC1-(2,4-dichlorophenyl)-6-methyl-N-piperidin-1-yl-4H-indeno[2,1-d]pyrazole-3-carboxamide
SMILESCc1ccc2c(c1)Cc1c(C(=O)NN3CCCCC3)nn(-c3ccc(Cl)cc3Cl)c1-2
InChIInChI=1S/C23H22Cl2N4O/c1-14-5-7-17-15(11-14)12-18-21(23(30)27-28-9-3-2-4-10-28)26-29(22(17)18)20-8-6-16(24)13-19(20)25/h5-8,11,13H,2-4,9-10,12H2,1H3,(H,27,30)
InChIKeyFNOMTMVRTBHRET-UHFFFAOYSA-N
MW441.36 g/mol
LogP5.19
Rot. Bonds3

About 1-(2,4-dichlorophenyl)-6-methyl-N-piperidin-1-yl-4H-indeno[2,1-d]pyrazole-3-carboxamide

1-(2,4-dichlorophenyl)-6-methyl-N-piperidin-1-yl-4H-indeno[2,1-d]pyrazole-3-carboxamide (PubChem CID 10252734) has the molecular formula C23H22Cl2N4O and a molecular weight of 441.36 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-6-methyl-N-piperidin-1-yl-4H-indeno[2,1-d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-6-methyl-N-piperidin-1-yl-4H-indeno[2,1-d]pyrazole-3-carboxamide
PubChem CID10252734
Molecular FormulaC23H22Cl2N4O
Molecular Weight441.36 g/mol
Exact Mass440.12
IUPAC Name1-(2,4-dichlorophenyl)-6-methyl-N-piperidin-1-yl-4H-indeno[2,1-d]pyrazole-3-carboxamide
SMILESCc1ccc2c(c1)Cc1c(C(=O)NN3CCCCC3)nn(-c3ccc(Cl)cc3Cl)c1-2
InChIInChI=1S/C23H22Cl2N4O/c1-14-5-7-17-15(11-14)12-18-21(23(30)27-28-9-3-2-4-10-28)26-29(22(17)18)20-8-6-16(24)13-19(20)25/h5-8,11,13H,2-4,9-10,12H2,1H3,(H,27,30)
InChIKeyFNOMTMVRTBHRET-UHFFFAOYSA-N
XLogP5.19
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.36
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-6-methyl-N-piperidin-1-yl-4H-indeno[2,1-d]pyrazole-3-carboxamide?
The IUPAC name of 1-(2,4-dichlorophenyl)-6-methyl-N-piperidin-1-yl-4H-indeno[2,1-d]pyrazole-3-carboxamide (CID 10252734) is 1-(2,4-dichlorophenyl)-6-methyl-N-piperidin-1-yl-4H-indeno[2,1-d]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-6-methyl-N-piperidin-1-yl-4H-indeno[2,1-d]pyrazole-3-carboxamide?
The canonical SMILES for 1-(2,4-dichlorophenyl)-6-methyl-N-piperidin-1-yl-4H-indeno[2,1-d]pyrazole-3-carboxamide is Cc1ccc2c(c1)Cc1c(C(=O)NN3CCCCC3)nn(-c3ccc(Cl)cc3Cl)c1-2.
What is the InChIKey of 1-(2,4-dichlorophenyl)-6-methyl-N-piperidin-1-yl-4H-indeno[2,1-d]pyrazole-3-carboxamide?
The InChIKey is FNOMTMVRTBHRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N4O/c1-14-5-7-17-15(11-14)12-18-21(23(30)27-28-9-3-2-4-10-28)26-29(22(17)18)20-8-6-16(24)13-19(20)25/h5-8,11,13H,2-4,9-10,12H2,1H3,(H,27,30).
What are the key properties of 1-(2,4-dichlorophenyl)-6-methyl-N-piperidin-1-yl-4H-indeno[2,1-d]pyrazole-3-carboxamide?
1-(2,4-dichlorophenyl)-6-methyl-N-piperidin-1-yl-4H-indeno[2,1-d]pyrazole-3-carboxamide has a molecular weight of 441.36 g/mol, XLogP of 5.19, 3 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-N-piperidin-1-yl-4H-indeno[2,1-d]pyrazole-3-carboxamide is sourced from PubChem (CID 10252734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).