1-[1-[5-(1-benzylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine

C21H27N5 — CID 46980411

IUPAC1-[1-[5-(1-benzylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine
SMILESCC(Cn1cncc1-c1cnn(Cc2ccccc2)c1)N1CCCCC1
InChIInChI=1S/C21H27N5/c1-18(24-10-6-3-7-11-24)14-25-17-22-13-21(25)20-12-23-26(16-20)15-19-8-4-2-5-9-19/h2,4-5,8-9,12-13,16-18H,3,6-7,10-11,14-15H2,1H3
InChIKeyNGADIRCEOBGSQL-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.67
Rot. Bonds6

About 1-[1-[5-(1-benzylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine

1-[1-[5-(1-benzylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine (PubChem CID 46980411) has the molecular formula C21H27N5 and a molecular weight of 349.48 g/mol. Its IUPAC name is 1-[1-[5-(1-benzylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine.

Molecular Properties

Compound Name1-[1-[5-(1-benzylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine
PubChem CID46980411
Molecular FormulaC21H27N5
Molecular Weight349.48 g/mol
Exact Mass349.23
IUPAC Name1-[1-[5-(1-benzylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine
SMILESCC(Cn1cncc1-c1cnn(Cc2ccccc2)c1)N1CCCCC1
InChIInChI=1S/C21H27N5/c1-18(24-10-6-3-7-11-24)14-25-17-22-13-21(25)20-12-23-26(16-20)15-19-8-4-2-5-9-19/h2,4-5,8-9,12-13,16-18H,3,6-7,10-11,14-15H2,1H3
InChIKeyNGADIRCEOBGSQL-UHFFFAOYSA-N
XLogP3.67
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[5-(1-benzylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine?
The IUPAC name of 1-[1-[5-(1-benzylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine (CID 46980411) is 1-[1-[5-(1-benzylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine.
What is the SMILES notation for 1-[1-[5-(1-benzylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine?
The canonical SMILES for 1-[1-[5-(1-benzylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine is CC(Cn1cncc1-c1cnn(Cc2ccccc2)c1)N1CCCCC1.
What is the InChIKey of 1-[1-[5-(1-benzylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine?
The InChIKey is NGADIRCEOBGSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5/c1-18(24-10-6-3-7-11-24)14-25-17-22-13-21(25)20-12-23-26(16-20)15-19-8-4-2-5-9-19/h2,4-5,8-9,12-13,16-18H,3,6-7,10-11,14-15H2,1H3.
What are the key properties of 1-[1-[5-(1-benzylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine?
1-[1-[5-(1-benzylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine has a molecular weight of 349.48 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[5-(1-benzylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine is sourced from PubChem (CID 46980411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).