[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone

C14H18F2N6O2 — CID 126789204

IUPAC[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone
SMILESCn1cc(N2CCN(C(=O)c3cc(OC(F)F)n(C)n3)CC2)cn1
InChIInChI=1S/C14H18F2N6O2/c1-19-9-10(8-17-19)21-3-5-22(6-4-21)13(23)11-7-12(20(2)18-11)24-14(15)16/h7-9,14H,3-6H2,1-2H3
InChIKeyOMWVFDCJNMEPSJ-UHFFFAOYSA-N
MW340.33 g/mol
LogP0.72
Rot. Bonds4

About [5-(difluoromethoxy)-1-methylpyrazol-3-yl]-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone

[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone (PubChem CID 126789204) has the molecular formula C14H18F2N6O2 and a molecular weight of 340.33 g/mol. Its IUPAC name is [5-(difluoromethoxy)-1-methylpyrazol-3-yl]-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone
PubChem CID126789204
Molecular FormulaC14H18F2N6O2
Molecular Weight340.33 g/mol
Exact Mass340.15
IUPAC Name[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone
SMILESCn1cc(N2CCN(C(=O)c3cc(OC(F)F)n(C)n3)CC2)cn1
InChIInChI=1S/C14H18F2N6O2/c1-19-9-10(8-17-19)21-3-5-22(6-4-21)13(23)11-7-12(20(2)18-11)24-14(15)16/h7-9,14H,3-6H2,1-2H3
InChIKeyOMWVFDCJNMEPSJ-UHFFFAOYSA-N
XLogP0.72
TPSA68.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-(difluoromethoxy)-1-methylpyrazol-3-yl]-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone?
The IUPAC name of [5-(difluoromethoxy)-1-methylpyrazol-3-yl]-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone (CID 126789204) is [5-(difluoromethoxy)-1-methylpyrazol-3-yl]-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [5-(difluoromethoxy)-1-methylpyrazol-3-yl]-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for [5-(difluoromethoxy)-1-methylpyrazol-3-yl]-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone is Cn1cc(N2CCN(C(=O)c3cc(OC(F)F)n(C)n3)CC2)cn1.
What is the InChIKey of [5-(difluoromethoxy)-1-methylpyrazol-3-yl]-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone?
The InChIKey is OMWVFDCJNMEPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N6O2/c1-19-9-10(8-17-19)21-3-5-22(6-4-21)13(23)11-7-12(20(2)18-11)24-14(15)16/h7-9,14H,3-6H2,1-2H3.
What are the key properties of [5-(difluoromethoxy)-1-methylpyrazol-3-yl]-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone?
[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone has a molecular weight of 340.33 g/mol, XLogP of 0.72, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(difluoromethoxy)-1-methylpyrazol-3-yl]-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 126789204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).