N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-(oxan-4-yl)acetamide

C12H17F2N3O2 — CID 138997880

IUPACN-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-(oxan-4-yl)acetamide
SMILESCc1[nH]nc(C(F)F)c1NC(=O)CC1CCOCC1
InChIInChI=1S/C12H17F2N3O2/c1-7-10(11(12(13)14)17-16-7)15-9(18)6-8-2-4-19-5-3-8/h8,12H,2-6H2,1H3,(H,15,18)(H,16,17)
InChIKeyGTGGYOUPKZKZMC-UHFFFAOYSA-N
MW273.28 g/mol
LogP2.41
Rot. Bonds4

About N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-(oxan-4-yl)acetamide

N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-(oxan-4-yl)acetamide (PubChem CID 138997880) has the molecular formula C12H17F2N3O2 and a molecular weight of 273.28 g/mol. Its IUPAC name is N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound NameN-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-(oxan-4-yl)acetamide
PubChem CID138997880
Molecular FormulaC12H17F2N3O2
Molecular Weight273.28 g/mol
Exact Mass273.13
IUPAC NameN-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-(oxan-4-yl)acetamide
SMILESCc1[nH]nc(C(F)F)c1NC(=O)CC1CCOCC1
InChIInChI=1S/C12H17F2N3O2/c1-7-10(11(12(13)14)17-16-7)15-9(18)6-8-2-4-19-5-3-8/h8,12H,2-6H2,1H3,(H,15,18)(H,16,17)
InChIKeyGTGGYOUPKZKZMC-UHFFFAOYSA-N
XLogP2.41
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-(oxan-4-yl)acetamide?
The IUPAC name of N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-(oxan-4-yl)acetamide (CID 138997880) is N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-(oxan-4-yl)acetamide.
What is the SMILES notation for N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-(oxan-4-yl)acetamide?
The canonical SMILES for N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-(oxan-4-yl)acetamide is Cc1[nH]nc(C(F)F)c1NC(=O)CC1CCOCC1.
What is the InChIKey of N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-(oxan-4-yl)acetamide?
The InChIKey is GTGGYOUPKZKZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3O2/c1-7-10(11(12(13)14)17-16-7)15-9(18)6-8-2-4-19-5-3-8/h8,12H,2-6H2,1H3,(H,15,18)(H,16,17).
What are the key properties of N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-(oxan-4-yl)acetamide?
N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-(oxan-4-yl)acetamide has a molecular weight of 273.28 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 138997880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).