4-(3-benzyl-1-propylpyrazol-5-yl)piperidine

C18H25N3 — CID 18187520

IUPAC4-(3-benzyl-1-propylpyrazol-5-yl)piperidine
SMILESCCCn1nc(Cc2ccccc2)cc1C1CCNCC1
InChIInChI=1S/C18H25N3/c1-2-12-21-18(16-8-10-19-11-9-16)14-17(20-21)13-15-6-4-3-5-7-15/h3-7,14,16,19H,2,8-13H2,1H3
InChIKeyNAHLSIHXOZUPFG-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.35
Rot. Bonds5

About 4-(3-benzyl-1-propylpyrazol-5-yl)piperidine

4-(3-benzyl-1-propylpyrazol-5-yl)piperidine (PubChem CID 18187520) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 4-(3-benzyl-1-propylpyrazol-5-yl)piperidine.

Molecular Properties

Compound Name4-(3-benzyl-1-propylpyrazol-5-yl)piperidine
PubChem CID18187520
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name4-(3-benzyl-1-propylpyrazol-5-yl)piperidine
SMILESCCCn1nc(Cc2ccccc2)cc1C1CCNCC1
InChIInChI=1S/C18H25N3/c1-2-12-21-18(16-8-10-19-11-9-16)14-17(20-21)13-15-6-4-3-5-7-15/h3-7,14,16,19H,2,8-13H2,1H3
InChIKeyNAHLSIHXOZUPFG-UHFFFAOYSA-N
XLogP3.35
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-benzyl-1-propylpyrazol-5-yl)piperidine?
The IUPAC name of 4-(3-benzyl-1-propylpyrazol-5-yl)piperidine (CID 18187520) is 4-(3-benzyl-1-propylpyrazol-5-yl)piperidine.
What is the SMILES notation for 4-(3-benzyl-1-propylpyrazol-5-yl)piperidine?
The canonical SMILES for 4-(3-benzyl-1-propylpyrazol-5-yl)piperidine is CCCn1nc(Cc2ccccc2)cc1C1CCNCC1.
What is the InChIKey of 4-(3-benzyl-1-propylpyrazol-5-yl)piperidine?
The InChIKey is NAHLSIHXOZUPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-2-12-21-18(16-8-10-19-11-9-16)14-17(20-21)13-15-6-4-3-5-7-15/h3-7,14,16,19H,2,8-13H2,1H3.
What are the key properties of 4-(3-benzyl-1-propylpyrazol-5-yl)piperidine?
4-(3-benzyl-1-propylpyrazol-5-yl)piperidine has a molecular weight of 283.42 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-benzyl-1-propylpyrazol-5-yl)piperidine is sourced from PubChem (CID 18187520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).