N-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine

C21H22ClN5 — CID 18445612

IUPACN-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
SMILESCN1CCN(c2ccc3c(c2)Cc2c(Nc4cccc(Cl)c4)n[nH]c2-3)CC1
InChIInChI=1S/C21H22ClN5/c1-26-7-9-27(10-8-26)17-5-6-18-14(11-17)12-19-20(18)24-25-21(19)23-16-4-2-3-15(22)13-16/h2-6,11,13H,7-10,12H2,1H3,(H2,23,24,25)
InChIKeyHHTRCCIBFRBQJO-UHFFFAOYSA-N
MW379.90 g/mol
LogP4.13
Rot. Bonds3

About N-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine

N-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine (PubChem CID 18445612) has the molecular formula C21H22ClN5 and a molecular weight of 379.90 g/mol. Its IUPAC name is N-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
PubChem CID18445612
Molecular FormulaC21H22ClN5
Molecular Weight379.90 g/mol
Exact Mass379.16
IUPAC NameN-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
SMILESCN1CCN(c2ccc3c(c2)Cc2c(Nc4cccc(Cl)c4)n[nH]c2-3)CC1
InChIInChI=1S/C21H22ClN5/c1-26-7-9-27(10-8-26)17-5-6-18-14(11-17)12-19-20(18)24-25-21(19)23-16-4-2-3-15(22)13-16/h2-6,11,13H,7-10,12H2,1H3,(H2,23,24,25)
InChIKeyHHTRCCIBFRBQJO-UHFFFAOYSA-N
XLogP4.13
TPSA47.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.90
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
The IUPAC name of N-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine (CID 18445612) is N-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine.
What is the SMILES notation for N-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
The canonical SMILES for N-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine is CN1CCN(c2ccc3c(c2)Cc2c(Nc4cccc(Cl)c4)n[nH]c2-3)CC1.
What is the InChIKey of N-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
The InChIKey is HHTRCCIBFRBQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5/c1-26-7-9-27(10-8-26)17-5-6-18-14(11-17)12-19-20(18)24-25-21(19)23-16-4-2-3-15(22)13-16/h2-6,11,13H,7-10,12H2,1H3,(H2,23,24,25).
What are the key properties of N-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine?
N-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine has a molecular weight of 379.90 g/mol, XLogP of 4.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)-1,4-dihydroindeno[2,1-d]pyrazol-3-amine is sourced from PubChem (CID 18445612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).