methyl 4-(5-cyclohexyl-1H-pyrazole-4-carbonyl)piperazine-1-carboxylate

C16H24N4O3 — CID 70755411

IUPACmethyl 4-(5-cyclohexyl-1H-pyrazole-4-carbonyl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(=O)c2cn[nH]c2C2CCCCC2)CC1
InChIInChI=1S/C16H24N4O3/c1-23-16(22)20-9-7-19(8-10-20)15(21)13-11-17-18-14(13)12-5-3-2-4-6-12/h11-12H,2-10H2,1H3,(H,17,18)
InChIKeyGUUDXVJAHOPCRH-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.98
Rot. Bonds2

About methyl 4-(5-cyclohexyl-1H-pyrazole-4-carbonyl)piperazine-1-carboxylate

methyl 4-(5-cyclohexyl-1H-pyrazole-4-carbonyl)piperazine-1-carboxylate (PubChem CID 70755411) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is methyl 4-(5-cyclohexyl-1H-pyrazole-4-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(5-cyclohexyl-1H-pyrazole-4-carbonyl)piperazine-1-carboxylate
PubChem CID70755411
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Namemethyl 4-(5-cyclohexyl-1H-pyrazole-4-carbonyl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(=O)c2cn[nH]c2C2CCCCC2)CC1
InChIInChI=1S/C16H24N4O3/c1-23-16(22)20-9-7-19(8-10-20)15(21)13-11-17-18-14(13)12-5-3-2-4-6-12/h11-12H,2-10H2,1H3,(H,17,18)
InChIKeyGUUDXVJAHOPCRH-UHFFFAOYSA-N
XLogP1.98
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(5-cyclohexyl-1H-pyrazole-4-carbonyl)piperazine-1-carboxylate?
The IUPAC name of methyl 4-(5-cyclohexyl-1H-pyrazole-4-carbonyl)piperazine-1-carboxylate (CID 70755411) is methyl 4-(5-cyclohexyl-1H-pyrazole-4-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-(5-cyclohexyl-1H-pyrazole-4-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for methyl 4-(5-cyclohexyl-1H-pyrazole-4-carbonyl)piperazine-1-carboxylate is COC(=O)N1CCN(C(=O)c2cn[nH]c2C2CCCCC2)CC1.
What is the InChIKey of methyl 4-(5-cyclohexyl-1H-pyrazole-4-carbonyl)piperazine-1-carboxylate?
The InChIKey is GUUDXVJAHOPCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-23-16(22)20-9-7-19(8-10-20)15(21)13-11-17-18-14(13)12-5-3-2-4-6-12/h11-12H,2-10H2,1H3,(H,17,18).
What are the key properties of methyl 4-(5-cyclohexyl-1H-pyrazole-4-carbonyl)piperazine-1-carboxylate?
methyl 4-(5-cyclohexyl-1H-pyrazole-4-carbonyl)piperazine-1-carboxylate has a molecular weight of 320.39 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(5-cyclohexyl-1H-pyrazole-4-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 70755411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).