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

C16H22F3N3O2 — CID 19570589

IUPAC3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methyl-N-(oxolan-2-ylmethyl)propanamide
SMILESCC(Cn1nc(C(F)(F)F)cc1C1CC1)C(=O)NCC1CCCO1
InChIInChI=1S/C16H22F3N3O2/c1-10(15(23)20-8-12-3-2-6-24-12)9-22-13(11-4-5-11)7-14(21-22)16(17,18)19/h7,10-12H,2-6,8-9H2,1H3,(H,20,23)
InChIKeyVXCBRNAGPBMHJT-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.71
Rot. Bonds6

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

3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methyl-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 19570589) has the molecular formula C16H22F3N3O2 and a molecular weight of 345.37 g/mol. Its IUPAC name is 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methyl-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methyl-N-(oxolan-2-ylmethyl)propanamide
PubChem CID19570589
Molecular FormulaC16H22F3N3O2
Molecular Weight345.37 g/mol
Exact Mass345.17
IUPAC Name3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methyl-N-(oxolan-2-ylmethyl)propanamide
SMILESCC(Cn1nc(C(F)(F)F)cc1C1CC1)C(=O)NCC1CCCO1
InChIInChI=1S/C16H22F3N3O2/c1-10(15(23)20-8-12-3-2-6-24-12)9-22-13(11-4-5-11)7-14(21-22)16(17,18)19/h7,10-12H,2-6,8-9H2,1H3,(H,20,23)
InChIKeyVXCBRNAGPBMHJT-UHFFFAOYSA-N
XLogP2.71
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methyl-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methyl-N-(oxolan-2-ylmethyl)propanamide (CID 19570589) is 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methyl-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methyl-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methyl-N-(oxolan-2-ylmethyl)propanamide is CC(Cn1nc(C(F)(F)F)cc1C1CC1)C(=O)NCC1CCCO1.
What is the InChIKey of 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methyl-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is VXCBRNAGPBMHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O2/c1-10(15(23)20-8-12-3-2-6-24-12)9-22-13(11-4-5-11)7-14(21-22)16(17,18)19/h7,10-12H,2-6,8-9H2,1H3,(H,20,23).
What are the key properties of 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methyl-N-(oxolan-2-ylmethyl)propanamide?
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methyl-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 345.37 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methyl-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 19570589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).