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

C14H17N3 — CID 66490949

IUPAC4-(3-phenyl-1H-pyrazol-5-yl)piperidine
SMILESc1ccc(-c2cc(C3CCNCC3)[nH]n2)cc1
InChIInChI=1S/C14H17N3/c1-2-4-11(5-3-1)13-10-14(17-16-13)12-6-8-15-9-7-12/h1-5,10,12,15H,6-9H2,(H,16,17)
InChIKeyUHLBSUWTIANPAN-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.54
Rot. Bonds2

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

4-(3-phenyl-1H-pyrazol-5-yl)piperidine (PubChem CID 66490949) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-(3-phenyl-1H-pyrazol-5-yl)piperidine.

Molecular Properties

Compound Name4-(3-phenyl-1H-pyrazol-5-yl)piperidine
PubChem CID66490949
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name4-(3-phenyl-1H-pyrazol-5-yl)piperidine
SMILESc1ccc(-c2cc(C3CCNCC3)[nH]n2)cc1
InChIInChI=1S/C14H17N3/c1-2-4-11(5-3-1)13-10-14(17-16-13)12-6-8-15-9-7-12/h1-5,10,12,15H,6-9H2,(H,16,17)
InChIKeyUHLBSUWTIANPAN-UHFFFAOYSA-N
XLogP2.54
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-phenyl-1H-pyrazol-5-yl)piperidine?
The IUPAC name of 4-(3-phenyl-1H-pyrazol-5-yl)piperidine (CID 66490949) is 4-(3-phenyl-1H-pyrazol-5-yl)piperidine.
What is the SMILES notation for 4-(3-phenyl-1H-pyrazol-5-yl)piperidine?
The canonical SMILES for 4-(3-phenyl-1H-pyrazol-5-yl)piperidine is c1ccc(-c2cc(C3CCNCC3)[nH]n2)cc1.
What is the InChIKey of 4-(3-phenyl-1H-pyrazol-5-yl)piperidine?
The InChIKey is UHLBSUWTIANPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-2-4-11(5-3-1)13-10-14(17-16-13)12-6-8-15-9-7-12/h1-5,10,12,15H,6-9H2,(H,16,17).
What are the key properties of 4-(3-phenyl-1H-pyrazol-5-yl)piperidine?
4-(3-phenyl-1H-pyrazol-5-yl)piperidine has a molecular weight of 227.31 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenyl-1H-pyrazol-5-yl)piperidine is sourced from PubChem (CID 66490949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).