4-(4-benzyl-1H-pyrazol-5-yl)-1-(2,3-dihydro-1H-inden-2-yl)piperidine

C24H27N3 — CID 42169832

IUPAC4-(4-benzyl-1H-pyrazol-5-yl)-1-(2,3-dihydro-1H-inden-2-yl)piperidine
SMILESc1ccc(Cc2cn[nH]c2C2CCN(C3Cc4ccccc4C3)CC2)cc1
InChIInChI=1S/C24H27N3/c1-2-6-18(7-3-1)14-22-17-25-26-24(22)19-10-12-27(13-11-19)23-15-20-8-4-5-9-21(20)16-23/h1-9,17,19,23H,10-16H2,(H,25,26)
InChIKeyRTVAFTVADAQWFV-UHFFFAOYSA-N
MW357.50 g/mol
LogP4.35
Rot. Bonds4

About 4-(4-benzyl-1H-pyrazol-5-yl)-1-(2,3-dihydro-1H-inden-2-yl)piperidine

4-(4-benzyl-1H-pyrazol-5-yl)-1-(2,3-dihydro-1H-inden-2-yl)piperidine (PubChem CID 42169832) has the molecular formula C24H27N3 and a molecular weight of 357.50 g/mol. Its IUPAC name is 4-(4-benzyl-1H-pyrazol-5-yl)-1-(2,3-dihydro-1H-inden-2-yl)piperidine.

Molecular Properties

Compound Name4-(4-benzyl-1H-pyrazol-5-yl)-1-(2,3-dihydro-1H-inden-2-yl)piperidine
PubChem CID42169832
Molecular FormulaC24H27N3
Molecular Weight357.50 g/mol
Exact Mass357.22
IUPAC Name4-(4-benzyl-1H-pyrazol-5-yl)-1-(2,3-dihydro-1H-inden-2-yl)piperidine
SMILESc1ccc(Cc2cn[nH]c2C2CCN(C3Cc4ccccc4C3)CC2)cc1
InChIInChI=1S/C24H27N3/c1-2-6-18(7-3-1)14-22-17-25-26-24(22)19-10-12-27(13-11-19)23-15-20-8-4-5-9-21(20)16-23/h1-9,17,19,23H,10-16H2,(H,25,26)
InChIKeyRTVAFTVADAQWFV-UHFFFAOYSA-N
XLogP4.35
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-benzyl-1H-pyrazol-5-yl)-1-(2,3-dihydro-1H-inden-2-yl)piperidine?
The IUPAC name of 4-(4-benzyl-1H-pyrazol-5-yl)-1-(2,3-dihydro-1H-inden-2-yl)piperidine (CID 42169832) is 4-(4-benzyl-1H-pyrazol-5-yl)-1-(2,3-dihydro-1H-inden-2-yl)piperidine.
What is the SMILES notation for 4-(4-benzyl-1H-pyrazol-5-yl)-1-(2,3-dihydro-1H-inden-2-yl)piperidine?
The canonical SMILES for 4-(4-benzyl-1H-pyrazol-5-yl)-1-(2,3-dihydro-1H-inden-2-yl)piperidine is c1ccc(Cc2cn[nH]c2C2CCN(C3Cc4ccccc4C3)CC2)cc1.
What is the InChIKey of 4-(4-benzyl-1H-pyrazol-5-yl)-1-(2,3-dihydro-1H-inden-2-yl)piperidine?
The InChIKey is RTVAFTVADAQWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3/c1-2-6-18(7-3-1)14-22-17-25-26-24(22)19-10-12-27(13-11-19)23-15-20-8-4-5-9-21(20)16-23/h1-9,17,19,23H,10-16H2,(H,25,26).
What are the key properties of 4-(4-benzyl-1H-pyrazol-5-yl)-1-(2,3-dihydro-1H-inden-2-yl)piperidine?
4-(4-benzyl-1H-pyrazol-5-yl)-1-(2,3-dihydro-1H-inden-2-yl)piperidine has a molecular weight of 357.50 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzyl-1H-pyrazol-5-yl)-1-(2,3-dihydro-1H-inden-2-yl)piperidine is sourced from PubChem (CID 42169832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).