N,3-bis(4-chlorophenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide

C23H17Cl2N3O — CID 56693383

IUPACN,3-bis(4-chlorophenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1N=C2c3ccccc3CC2C1c1ccc(Cl)cc1
InChIInChI=1S/C23H17Cl2N3O/c24-16-7-5-14(6-8-16)22-20-13-15-3-1-2-4-19(15)21(20)27-28(22)23(29)26-18-11-9-17(25)10-12-18/h1-12,20,22H,13H2,(H,26,29)
InChIKeyLFGHAOWCDTUPSJ-UHFFFAOYSA-N
MW422.32 g/mol
LogP6.16
Rot. Bonds2

About N,3-bis(4-chlorophenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide

N,3-bis(4-chlorophenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide (PubChem CID 56693383) has the molecular formula C23H17Cl2N3O and a molecular weight of 422.32 g/mol. Its IUPAC name is N,3-bis(4-chlorophenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide.

Molecular Properties

Compound NameN,3-bis(4-chlorophenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide
PubChem CID56693383
Molecular FormulaC23H17Cl2N3O
Molecular Weight422.32 g/mol
Exact Mass421.07
IUPAC NameN,3-bis(4-chlorophenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1N=C2c3ccccc3CC2C1c1ccc(Cl)cc1
InChIInChI=1S/C23H17Cl2N3O/c24-16-7-5-14(6-8-16)22-20-13-15-3-1-2-4-19(15)21(20)27-28(22)23(29)26-18-11-9-17(25)10-12-18/h1-12,20,22H,13H2,(H,26,29)
InChIKeyLFGHAOWCDTUPSJ-UHFFFAOYSA-N
XLogP6.16
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.32
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,3-bis(4-chlorophenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide?
The IUPAC name of N,3-bis(4-chlorophenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide (CID 56693383) is N,3-bis(4-chlorophenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide.
What is the SMILES notation for N,3-bis(4-chlorophenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide?
The canonical SMILES for N,3-bis(4-chlorophenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide is O=C(Nc1ccc(Cl)cc1)N1N=C2c3ccccc3CC2C1c1ccc(Cl)cc1.
What is the InChIKey of N,3-bis(4-chlorophenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide?
The InChIKey is LFGHAOWCDTUPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2N3O/c24-16-7-5-14(6-8-16)22-20-13-15-3-1-2-4-19(15)21(20)27-28(22)23(29)26-18-11-9-17(25)10-12-18/h1-12,20,22H,13H2,(H,26,29).
What are the key properties of N,3-bis(4-chlorophenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide?
N,3-bis(4-chlorophenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide has a molecular weight of 422.32 g/mol, XLogP of 6.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-bis(4-chlorophenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazole-2-carboxamide is sourced from PubChem (CID 56693383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).