N-phenyl-6-piperidin-1-yl-1,2-dihydroindeno[1,2-c]pyrazol-3-amine

C21H22N4 — CID 90725831

IUPACN-phenyl-6-piperidin-1-yl-1,2-dihydroindeno[1,2-c]pyrazol-3-amine
SMILESc1ccc(Nc2[nH][nH]c3c4ccc(N5CCCCC5)cc4cc2-3)cc1
InChIInChI=1S/C21H22N4/c1-3-7-16(8-4-1)22-21-19-14-15-13-17(25-11-5-2-6-12-25)9-10-18(15)20(19)23-24-21/h1,3-4,7-10,13-14,22-24H,2,5-6,11-12H2
InChIKeyNBTXYXGDFBKFJY-UHFFFAOYSA-N
MW330.44 g/mol
LogP5.33
Rot. Bonds3

About N-phenyl-6-piperidin-1-yl-1,2-dihydroindeno[1,2-c]pyrazol-3-amine

N-phenyl-6-piperidin-1-yl-1,2-dihydroindeno[1,2-c]pyrazol-3-amine (PubChem CID 90725831) has the molecular formula C21H22N4 and a molecular weight of 330.44 g/mol. Its IUPAC name is N-phenyl-6-piperidin-1-yl-1,2-dihydroindeno[1,2-c]pyrazol-3-amine.

Molecular Properties

Compound NameN-phenyl-6-piperidin-1-yl-1,2-dihydroindeno[1,2-c]pyrazol-3-amine
PubChem CID90725831
Molecular FormulaC21H22N4
Molecular Weight330.44 g/mol
Exact Mass330.18
IUPAC NameN-phenyl-6-piperidin-1-yl-1,2-dihydroindeno[1,2-c]pyrazol-3-amine
SMILESc1ccc(Nc2[nH][nH]c3c4ccc(N5CCCCC5)cc4cc2-3)cc1
InChIInChI=1S/C21H22N4/c1-3-7-16(8-4-1)22-21-19-14-15-13-17(25-11-5-2-6-12-25)9-10-18(15)20(19)23-24-21/h1,3-4,7-10,13-14,22-24H,2,5-6,11-12H2
InChIKeyNBTXYXGDFBKFJY-UHFFFAOYSA-N
XLogP5.33
TPSA46.85 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.44
LogP ≤ 55.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-6-piperidin-1-yl-1,2-dihydroindeno[1,2-c]pyrazol-3-amine?
The IUPAC name of N-phenyl-6-piperidin-1-yl-1,2-dihydroindeno[1,2-c]pyrazol-3-amine (CID 90725831) is N-phenyl-6-piperidin-1-yl-1,2-dihydroindeno[1,2-c]pyrazol-3-amine.
What is the SMILES notation for N-phenyl-6-piperidin-1-yl-1,2-dihydroindeno[1,2-c]pyrazol-3-amine?
The canonical SMILES for N-phenyl-6-piperidin-1-yl-1,2-dihydroindeno[1,2-c]pyrazol-3-amine is c1ccc(Nc2[nH][nH]c3c4ccc(N5CCCCC5)cc4cc2-3)cc1.
What is the InChIKey of N-phenyl-6-piperidin-1-yl-1,2-dihydroindeno[1,2-c]pyrazol-3-amine?
The InChIKey is NBTXYXGDFBKFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4/c1-3-7-16(8-4-1)22-21-19-14-15-13-17(25-11-5-2-6-12-25)9-10-18(15)20(19)23-24-21/h1,3-4,7-10,13-14,22-24H,2,5-6,11-12H2.
What are the key properties of N-phenyl-6-piperidin-1-yl-1,2-dihydroindeno[1,2-c]pyrazol-3-amine?
N-phenyl-6-piperidin-1-yl-1,2-dihydroindeno[1,2-c]pyrazol-3-amine has a molecular weight of 330.44 g/mol, XLogP of 5.33, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-6-piperidin-1-yl-1,2-dihydroindeno[1,2-c]pyrazol-3-amine is sourced from PubChem (CID 90725831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).