4-[1-(difluoromethyl)pyrazole-3-carbonyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one

C14H20F2N4O2 — CID 139009579

IUPAC4-[1-(difluoromethyl)pyrazole-3-carbonyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one
SMILESCC(C)CN1CCN(C(=O)c2ccn(C(F)F)n2)C(C)C1=O
InChIInChI=1S/C14H20F2N4O2/c1-9(2)8-18-6-7-19(10(3)12(18)21)13(22)11-4-5-20(17-11)14(15)16/h4-5,9-10,14H,6-8H2,1-3H3
InChIKeyVXFWMLDKSVHLRO-UHFFFAOYSA-N
MW314.34 g/mol
LogP1.61
Rot. Bonds4

About 4-[1-(difluoromethyl)pyrazole-3-carbonyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one

4-[1-(difluoromethyl)pyrazole-3-carbonyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one (PubChem CID 139009579) has the molecular formula C14H20F2N4O2 and a molecular weight of 314.34 g/mol. Its IUPAC name is 4-[1-(difluoromethyl)pyrazole-3-carbonyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one.

Molecular Properties

Compound Name4-[1-(difluoromethyl)pyrazole-3-carbonyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one
PubChem CID139009579
Molecular FormulaC14H20F2N4O2
Molecular Weight314.34 g/mol
Exact Mass314.16
IUPAC Name4-[1-(difluoromethyl)pyrazole-3-carbonyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one
SMILESCC(C)CN1CCN(C(=O)c2ccn(C(F)F)n2)C(C)C1=O
InChIInChI=1S/C14H20F2N4O2/c1-9(2)8-18-6-7-19(10(3)12(18)21)13(22)11-4-5-20(17-11)14(15)16/h4-5,9-10,14H,6-8H2,1-3H3
InChIKeyVXFWMLDKSVHLRO-UHFFFAOYSA-N
XLogP1.61
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 3243745
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CID 6469837
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CID 6469888
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CID 24819489
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CID 1225789
CID 1225789
CID 5057975
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CID 17144219
CID 17144219
CID 19575757
CID 19575757
CID 19575903
CID 19575903
CID 19623349
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CID 39891793
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CID 72151204
CID 72151204

Frequently Asked Questions

What is the IUPAC name of 4-[1-(difluoromethyl)pyrazole-3-carbonyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one?
The IUPAC name of 4-[1-(difluoromethyl)pyrazole-3-carbonyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one (CID 139009579) is 4-[1-(difluoromethyl)pyrazole-3-carbonyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one.
What is the SMILES notation for 4-[1-(difluoromethyl)pyrazole-3-carbonyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one?
The canonical SMILES for 4-[1-(difluoromethyl)pyrazole-3-carbonyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one is CC(C)CN1CCN(C(=O)c2ccn(C(F)F)n2)C(C)C1=O.
What is the InChIKey of 4-[1-(difluoromethyl)pyrazole-3-carbonyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one?
The InChIKey is VXFWMLDKSVHLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N4O2/c1-9(2)8-18-6-7-19(10(3)12(18)21)13(22)11-4-5-20(17-11)14(15)16/h4-5,9-10,14H,6-8H2,1-3H3.
What are the key properties of 4-[1-(difluoromethyl)pyrazole-3-carbonyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one?
4-[1-(difluoromethyl)pyrazole-3-carbonyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one has a molecular weight of 314.34 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(difluoromethyl)pyrazole-3-carbonyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one is sourced from PubChem (CID 139009579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).