1-[1-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine

C18H29N5 — CID 46980226

IUPAC1-[1-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine
SMILESCCn1nc(C)c(-c2cncn2CC(C)N2CCCCC2)c1C
InChIInChI=1S/C18H29N5/c1-5-23-16(4)18(15(3)20-23)17-11-19-13-22(17)12-14(2)21-9-7-6-8-10-21/h11,13-14H,5-10,12H2,1-4H3
InChIKeyROXNMEURZIJCFY-UHFFFAOYSA-N
MW315.47 g/mol
LogP3.26
Rot. Bonds5

About 1-[1-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine

1-[1-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine (PubChem CID 46980226) has the molecular formula C18H29N5 and a molecular weight of 315.47 g/mol. Its IUPAC name is 1-[1-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine.

Molecular Properties

Compound Name1-[1-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine
PubChem CID46980226
Molecular FormulaC18H29N5
Molecular Weight315.47 g/mol
Exact Mass315.24
IUPAC Name1-[1-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine
SMILESCCn1nc(C)c(-c2cncn2CC(C)N2CCCCC2)c1C
InChIInChI=1S/C18H29N5/c1-5-23-16(4)18(15(3)20-23)17-11-19-13-22(17)12-14(2)21-9-7-6-8-10-21/h11,13-14H,5-10,12H2,1-4H3
InChIKeyROXNMEURZIJCFY-UHFFFAOYSA-N
XLogP3.26
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.47
LogP ≤ 53.26
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-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine?
The IUPAC name of 1-[1-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine (CID 46980226) is 1-[1-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine.
What is the SMILES notation for 1-[1-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine?
The canonical SMILES for 1-[1-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine is CCn1nc(C)c(-c2cncn2CC(C)N2CCCCC2)c1C.
What is the InChIKey of 1-[1-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine?
The InChIKey is ROXNMEURZIJCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5/c1-5-23-16(4)18(15(3)20-23)17-11-19-13-22(17)12-14(2)21-9-7-6-8-10-21/h11,13-14H,5-10,12H2,1-4H3.
What are the key properties of 1-[1-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine?
1-[1-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine has a molecular weight of 315.47 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine is sourced from PubChem (CID 46980226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).