2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide

C12H16F3N3O2 — CID 659741

IUPAC2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1cc(C(F)(F)F)nn1CC(=O)NCC1CCCO1
InChIInChI=1S/C12H16F3N3O2/c1-8-5-10(12(13,14)15)17-18(8)7-11(19)16-6-9-3-2-4-20-9/h5,9H,2-4,6-7H2,1H3,(H,16,19)
InChIKeyMWZJSHFKQVQABK-UHFFFAOYSA-N
MW291.27 g/mol
LogP1.51
Rot. Bonds4

About 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide

2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 659741) has the molecular formula C12H16F3N3O2 and a molecular weight of 291.27 g/mol. Its IUPAC name is 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID659741
Molecular FormulaC12H16F3N3O2
Molecular Weight291.27 g/mol
Exact Mass291.12
IUPAC Name2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1cc(C(F)(F)F)nn1CC(=O)NCC1CCCO1
InChIInChI=1S/C12H16F3N3O2/c1-8-5-10(12(13,14)15)17-18(8)7-11(19)16-6-9-3-2-4-20-9/h5,9H,2-4,6-7H2,1H3,(H,16,19)
InChIKeyMWZJSHFKQVQABK-UHFFFAOYSA-N
XLogP1.51
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 841522
CID 841522
CID 1923948
CID 1923948
CID 673378
CID 673378
CID 2257667
CID 2257667
CID 813459
CID 813459
CID 1877172
CID 1877172
CID 2861623
CID 2861623
CID 2970593
CID 2970593
CID 45153901
CID 45153901
CID 53555283
CID 53555283
CID 53555368
CID 53555368
CID 53556912
CID 53556912

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide (CID 659741) is 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide is Cc1cc(C(F)(F)F)nn1CC(=O)NCC1CCCO1.
What is the InChIKey of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is MWZJSHFKQVQABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O2/c1-8-5-10(12(13,14)15)17-18(8)7-11(19)16-6-9-3-2-4-20-9/h5,9H,2-4,6-7H2,1H3,(H,16,19).
What are the key properties of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 291.27 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 659741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).