2-[5-(aminomethyl)oxolan-3-yl]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]acetamide

C12H18F2N4O2 — CID 166278329

IUPAC2-[5-(aminomethyl)oxolan-3-yl]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]acetamide
SMILESCn1cc(NC(=O)CC2COC(CN)C2)c(C(F)F)n1
InChIInChI=1S/C12H18F2N4O2/c1-18-5-9(11(17-18)12(13)14)16-10(19)3-7-2-8(4-15)20-6-7/h5,7-8,12H,2-4,6,15H2,1H3,(H,16,19)
InChIKeyZKTJRNFRWAEMRC-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.05
Rot. Bonds5

About 2-[5-(aminomethyl)oxolan-3-yl]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]acetamide

2-[5-(aminomethyl)oxolan-3-yl]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]acetamide (PubChem CID 166278329) has the molecular formula C12H18F2N4O2 and a molecular weight of 288.30 g/mol. Its IUPAC name is 2-[5-(aminomethyl)oxolan-3-yl]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-[5-(aminomethyl)oxolan-3-yl]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]acetamide
PubChem CID166278329
Molecular FormulaC12H18F2N4O2
Molecular Weight288.30 g/mol
Exact Mass288.14
IUPAC Name2-[5-(aminomethyl)oxolan-3-yl]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]acetamide
SMILESCn1cc(NC(=O)CC2COC(CN)C2)c(C(F)F)n1
InChIInChI=1S/C12H18F2N4O2/c1-18-5-9(11(17-18)12(13)14)16-10(19)3-7-2-8(4-15)20-6-7/h5,7-8,12H,2-4,6,15H2,1H3,(H,16,19)
InChIKeyZKTJRNFRWAEMRC-UHFFFAOYSA-N
XLogP1.05
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(aminomethyl)oxolan-3-yl]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]acetamide?
The IUPAC name of 2-[5-(aminomethyl)oxolan-3-yl]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]acetamide (CID 166278329) is 2-[5-(aminomethyl)oxolan-3-yl]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]acetamide.
What is the SMILES notation for 2-[5-(aminomethyl)oxolan-3-yl]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]acetamide?
The canonical SMILES for 2-[5-(aminomethyl)oxolan-3-yl]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]acetamide is Cn1cc(NC(=O)CC2COC(CN)C2)c(C(F)F)n1.
What is the InChIKey of 2-[5-(aminomethyl)oxolan-3-yl]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]acetamide?
The InChIKey is ZKTJRNFRWAEMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N4O2/c1-18-5-9(11(17-18)12(13)14)16-10(19)3-7-2-8(4-15)20-6-7/h5,7-8,12H,2-4,6,15H2,1H3,(H,16,19).
What are the key properties of 2-[5-(aminomethyl)oxolan-3-yl]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]acetamide?
2-[5-(aminomethyl)oxolan-3-yl]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]acetamide has a molecular weight of 288.30 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(aminomethyl)oxolan-3-yl]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]acetamide is sourced from PubChem (CID 166278329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).