2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C11H10ClF3N4O2 — CID 742298

IUPAC2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)no1
InChIInChI=1S/C11H10ClF3N4O2/c1-5-3-7(18-21-5)16-8(20)4-19-6(2)9(12)10(17-19)11(13,14)15/h3H,4H2,1-2H3,(H,16,18,20)
InChIKeyGCVYQTMNIRPFQB-UHFFFAOYSA-N
MW322.67 g/mol
LogP2.80
Rot. Bonds3

About 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 742298) has the molecular formula C11H10ClF3N4O2 and a molecular weight of 322.67 g/mol. Its IUPAC name is 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID742298
Molecular FormulaC11H10ClF3N4O2
Molecular Weight322.67 g/mol
Exact Mass322.04
IUPAC Name2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)no1
InChIInChI=1S/C11H10ClF3N4O2/c1-5-3-7(18-21-5)16-8(20)4-19-6(2)9(12)10(17-19)11(13,14)15/h3H,4H2,1-2H3,(H,16,18,20)
InChIKeyGCVYQTMNIRPFQB-UHFFFAOYSA-N
XLogP2.80
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.67
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 757091
4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 1509682
4-chloro-1-methyl-N-(5-methyl-3-isoxazolyl)-1H-pyrazole-5-carboxamide
CID 903588
4-chloro-1,3-dimethyl-N-(5-methyl-3-isoxazolyl)-1H-pyrazole-5-carboxamide
CID 841521
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 1259346
N-(5-methyl-3-isoxazolyl)-2-[3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl]acetamide
CID 798544
3-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 56780547
3-[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 72141897
2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(5-methyl-3-isoxazolyl)acetamide
CID 843646
2-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-oxo-4-propylpyrimidin-1(6H)-yl)-N-(5-methylisoxazol-3-yl)acetamide
CID 7588380
N-(5-methyl-3-isoxazolyl)3-(3,4,5-trimethyl-1-pyrazolyl)butyramide
CID 16877078
2-(3-(3,5-dimethyl-1H-pyrazol-1-yl)-6-oxopyridazin-1(6H)-yl)-N-(5-methylisoxazol-3-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 742298) is 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)no1.
What is the InChIKey of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is GCVYQTMNIRPFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N4O2/c1-5-3-7(18-21-5)16-8(20)4-19-6(2)9(12)10(17-19)11(13,14)15/h3H,4H2,1-2H3,(H,16,18,20).
What are the key properties of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 322.67 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 742298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).