2-methoxy-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]butanamide

C10H14F3N3O2 — CID 47477433

IUPAC2-methoxy-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]butanamide
SMILESCCC(OC)C(=O)Nc1n[nH]c(C(F)(F)F)c1C
InChIInChI=1S/C10H14F3N3O2/c1-4-6(18-3)9(17)14-8-5(2)7(15-16-8)10(11,12)13/h6H,4H2,1-3H3,(H2,14,15,16,17)
InChIKeyUBJUMYTWDHIJON-UHFFFAOYSA-N
MW265.23 g/mol
LogP2.10
Rot. Bonds4

About 2-methoxy-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]butanamide

2-methoxy-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]butanamide (PubChem CID 47477433) has the molecular formula C10H14F3N3O2 and a molecular weight of 265.23 g/mol. Its IUPAC name is 2-methoxy-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]butanamide.

Molecular Properties

Compound Name2-methoxy-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]butanamide
PubChem CID47477433
Molecular FormulaC10H14F3N3O2
Molecular Weight265.23 g/mol
Exact Mass265.10
IUPAC Name2-methoxy-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]butanamide
SMILESCCC(OC)C(=O)Nc1n[nH]c(C(F)(F)F)c1C
InChIInChI=1S/C10H14F3N3O2/c1-4-6(18-3)9(17)14-8-5(2)7(15-16-8)10(11,12)13/h6H,4H2,1-3H3,(H2,14,15,16,17)
InChIKeyUBJUMYTWDHIJON-UHFFFAOYSA-N
XLogP2.10
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide
CID 47474927
ethane;N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]acetamide
CID 144617155
(2S)-2-methoxy-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]butanamide
CID 94221431
(2R)-2-methoxy-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]butanamide
CID 94221432
N-(4-amino-5-methyl-1H-pyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103205711
3-(2,2-difluoroethoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide
CID 103209304
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103310308
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,2-difluoroacetamide
CID 103514075
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,2,3,3-tetrafluoropropanamide
CID 103733516
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,2,3,3,3-pentafluoropropanamide
CID 108092910
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 112689324
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3,3,3-trifluoropropanamide
CID 115609943

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]butanamide?
The IUPAC name of 2-methoxy-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]butanamide (CID 47477433) is 2-methoxy-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]butanamide.
What is the SMILES notation for 2-methoxy-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]butanamide?
The canonical SMILES for 2-methoxy-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]butanamide is CCC(OC)C(=O)Nc1n[nH]c(C(F)(F)F)c1C.
What is the InChIKey of 2-methoxy-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]butanamide?
The InChIKey is UBJUMYTWDHIJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2/c1-4-6(18-3)9(17)14-8-5(2)7(15-16-8)10(11,12)13/h6H,4H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 2-methoxy-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]butanamide?
2-methoxy-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]butanamide has a molecular weight of 265.23 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]butanamide is sourced from PubChem (CID 47477433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).