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

C16H25N5 — CID 46980448

IUPAC1-[1-[5-(1,3-dimethylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine
SMILESCc1nn(C)cc1-c1cncn1CC(C)N1CCCCC1
InChIInChI=1S/C16H25N5/c1-13(20-7-5-4-6-8-20)10-21-12-17-9-16(21)15-11-19(3)18-14(15)2/h9,11-13H,4-8,10H2,1-3H3
InChIKeyUUOVFNPMMNVNAF-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.47
Rot. Bonds4

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

1-[1-[5-(1,3-dimethylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine (PubChem CID 46980448) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-[1-[5-(1,3-dimethylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine.

Molecular Properties

Compound Name1-[1-[5-(1,3-dimethylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine
PubChem CID46980448
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC Name1-[1-[5-(1,3-dimethylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine
SMILESCc1nn(C)cc1-c1cncn1CC(C)N1CCCCC1
InChIInChI=1S/C16H25N5/c1-13(20-7-5-4-6-8-20)10-21-12-17-9-16(21)15-11-19(3)18-14(15)2/h9,11-13H,4-8,10H2,1-3H3
InChIKeyUUOVFNPMMNVNAF-UHFFFAOYSA-N
XLogP2.47
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[5-(1,3-dimethylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine?
The IUPAC name of 1-[1-[5-(1,3-dimethylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine (CID 46980448) is 1-[1-[5-(1,3-dimethylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine.
What is the SMILES notation for 1-[1-[5-(1,3-dimethylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine?
The canonical SMILES for 1-[1-[5-(1,3-dimethylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine is Cc1nn(C)cc1-c1cncn1CC(C)N1CCCCC1.
What is the InChIKey of 1-[1-[5-(1,3-dimethylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine?
The InChIKey is UUOVFNPMMNVNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-13(20-7-5-4-6-8-20)10-21-12-17-9-16(21)15-11-19(3)18-14(15)2/h9,11-13H,4-8,10H2,1-3H3.
What are the key properties of 1-[1-[5-(1,3-dimethylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine?
1-[1-[5-(1,3-dimethylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine has a molecular weight of 287.41 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[5-(1,3-dimethylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine is sourced from PubChem (CID 46980448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).