4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)piperidine

C18H19N3 — CID 1482145

IUPAC4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)piperidine
SMILESc1ccc2c(-c3cc(C4CCNCC4)[nH]n3)cccc2c1
InChIInChI=1S/C18H19N3/c1-2-6-15-13(4-1)5-3-7-16(15)18-12-17(20-21-18)14-8-10-19-11-9-14/h1-7,12,14,19H,8-11H2,(H,20,21)
InChIKeyKJCOJSQXSSWBOW-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.70
Rot. Bonds2

About 4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)piperidine

4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)piperidine (PubChem CID 1482145) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)piperidine.

Molecular Properties

Compound Name4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)piperidine
PubChem CID1482145
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)piperidine
SMILESc1ccc2c(-c3cc(C4CCNCC4)[nH]n3)cccc2c1
InChIInChI=1S/C18H19N3/c1-2-6-15-13(4-1)5-3-7-16(15)18-12-17(20-21-18)14-8-10-19-11-9-14/h1-7,12,14,19H,8-11H2,(H,20,21)
InChIKeyKJCOJSQXSSWBOW-UHFFFAOYSA-N
XLogP3.70
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)piperidine?
The IUPAC name of 4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)piperidine (CID 1482145) is 4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)piperidine.
What is the SMILES notation for 4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)piperidine?
The canonical SMILES for 4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)piperidine is c1ccc2c(-c3cc(C4CCNCC4)[nH]n3)cccc2c1.
What is the InChIKey of 4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)piperidine?
The InChIKey is KJCOJSQXSSWBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-2-6-15-13(4-1)5-3-7-16(15)18-12-17(20-21-18)14-8-10-19-11-9-14/h1-7,12,14,19H,8-11H2,(H,20,21).
What are the key properties of 4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)piperidine?
4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)piperidine has a molecular weight of 277.37 g/mol, XLogP of 3.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)piperidine is sourced from PubChem (CID 1482145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).