N-(3-chlorophenyl)-6,7-dimethoxy-4-propan-2-yl-1,2-dihydroindeno[1,2-c]pyrazol-3-amine

C21H22ClN3O2 — CID 91350988

IUPACN-(3-chlorophenyl)-6,7-dimethoxy-4-propan-2-yl-1,2-dihydroindeno[1,2-c]pyrazol-3-amine
SMILESCOc1cc2c3[nH][nH]c(Nc4cccc(Cl)c4)c-3c(C(C)C)c2cc1OC
InChIInChI=1S/C21H22ClN3O2/c1-11(2)18-14-9-16(26-3)17(27-4)10-15(14)20-19(18)21(25-24-20)23-13-7-5-6-12(22)8-13/h5-11,23-25H,1-4H3
InChIKeyBCXCVPHCXBWTQD-UHFFFAOYSA-N
MW383.88 g/mol
LogP6.14
Rot. Bonds5

About N-(3-chlorophenyl)-6,7-dimethoxy-4-propan-2-yl-1,2-dihydroindeno[1,2-c]pyrazol-3-amine

N-(3-chlorophenyl)-6,7-dimethoxy-4-propan-2-yl-1,2-dihydroindeno[1,2-c]pyrazol-3-amine (PubChem CID 91350988) has the molecular formula C21H22ClN3O2 and a molecular weight of 383.88 g/mol. Its IUPAC name is N-(3-chlorophenyl)-6,7-dimethoxy-4-propan-2-yl-1,2-dihydroindeno[1,2-c]pyrazol-3-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-6,7-dimethoxy-4-propan-2-yl-1,2-dihydroindeno[1,2-c]pyrazol-3-amine
PubChem CID91350988
Molecular FormulaC21H22ClN3O2
Molecular Weight383.88 g/mol
Exact Mass383.14
IUPAC NameN-(3-chlorophenyl)-6,7-dimethoxy-4-propan-2-yl-1,2-dihydroindeno[1,2-c]pyrazol-3-amine
SMILESCOc1cc2c3[nH][nH]c(Nc4cccc(Cl)c4)c-3c(C(C)C)c2cc1OC
InChIInChI=1S/C21H22ClN3O2/c1-11(2)18-14-9-16(26-3)17(27-4)10-15(14)20-19(18)21(25-24-20)23-13-7-5-6-12(22)8-13/h5-11,23-25H,1-4H3
InChIKeyBCXCVPHCXBWTQD-UHFFFAOYSA-N
XLogP6.14
TPSA62.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.88
LogP ≤ 56.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-6,7-dimethoxy-4-propan-2-yl-1,2-dihydroindeno[1,2-c]pyrazol-3-amine?
The IUPAC name of N-(3-chlorophenyl)-6,7-dimethoxy-4-propan-2-yl-1,2-dihydroindeno[1,2-c]pyrazol-3-amine (CID 91350988) is N-(3-chlorophenyl)-6,7-dimethoxy-4-propan-2-yl-1,2-dihydroindeno[1,2-c]pyrazol-3-amine.
What is the SMILES notation for N-(3-chlorophenyl)-6,7-dimethoxy-4-propan-2-yl-1,2-dihydroindeno[1,2-c]pyrazol-3-amine?
The canonical SMILES for N-(3-chlorophenyl)-6,7-dimethoxy-4-propan-2-yl-1,2-dihydroindeno[1,2-c]pyrazol-3-amine is COc1cc2c3[nH][nH]c(Nc4cccc(Cl)c4)c-3c(C(C)C)c2cc1OC.
What is the InChIKey of N-(3-chlorophenyl)-6,7-dimethoxy-4-propan-2-yl-1,2-dihydroindeno[1,2-c]pyrazol-3-amine?
The InChIKey is BCXCVPHCXBWTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O2/c1-11(2)18-14-9-16(26-3)17(27-4)10-15(14)20-19(18)21(25-24-20)23-13-7-5-6-12(22)8-13/h5-11,23-25H,1-4H3.
What are the key properties of N-(3-chlorophenyl)-6,7-dimethoxy-4-propan-2-yl-1,2-dihydroindeno[1,2-c]pyrazol-3-amine?
N-(3-chlorophenyl)-6,7-dimethoxy-4-propan-2-yl-1,2-dihydroindeno[1,2-c]pyrazol-3-amine has a molecular weight of 383.88 g/mol, XLogP of 6.14, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-6,7-dimethoxy-4-propan-2-yl-1,2-dihydroindeno[1,2-c]pyrazol-3-amine is sourced from PubChem (CID 91350988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).