3-cyclohexyl-1-[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]propan-1-one

C19H30N4O2 — CID 47064401

IUPAC3-cyclohexyl-1-[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]propan-1-one
SMILESCc1cc(C(=O)N2CCN(C(=O)CCC3CCCCC3)CC2)n(C)n1
InChIInChI=1S/C19H30N4O2/c1-15-14-17(21(2)20-15)19(25)23-12-10-22(11-13-23)18(24)9-8-16-6-4-3-5-7-16/h14,16H,3-13H2,1-2H3
InChIKeyDBTOSRLJTQMING-UHFFFAOYSA-N
MW346.48 g/mol
LogP2.37
Rot. Bonds4

About 3-cyclohexyl-1-[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]propan-1-one

3-cyclohexyl-1-[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]propan-1-one (PubChem CID 47064401) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 3-cyclohexyl-1-[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclohexyl-1-[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]propan-1-one
PubChem CID47064401
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name3-cyclohexyl-1-[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]propan-1-one
SMILESCc1cc(C(=O)N2CCN(C(=O)CCC3CCCCC3)CC2)n(C)n1
InChIInChI=1S/C19H30N4O2/c1-15-14-17(21(2)20-15)19(25)23-12-10-22(11-13-23)18(24)9-8-16-6-4-3-5-7-16/h14,16H,3-13H2,1-2H3
InChIKeyDBTOSRLJTQMING-UHFFFAOYSA-N
XLogP2.37
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-cyclohexyl-1-[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]propan-1-one (CID 47064401) is 3-cyclohexyl-1-[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-cyclohexyl-1-[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-cyclohexyl-1-[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]propan-1-one is Cc1cc(C(=O)N2CCN(C(=O)CCC3CCCCC3)CC2)n(C)n1.
What is the InChIKey of 3-cyclohexyl-1-[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]propan-1-one?
The InChIKey is DBTOSRLJTQMING-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-15-14-17(21(2)20-15)19(25)23-12-10-22(11-13-23)18(24)9-8-16-6-4-3-5-7-16/h14,16H,3-13H2,1-2H3.
What are the key properties of 3-cyclohexyl-1-[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]propan-1-one?
3-cyclohexyl-1-[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]propan-1-one has a molecular weight of 346.48 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 47064401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).