2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(2-methylpropyl)acetamide

C11H16ClF2N3O — CID 19517453

IUPAC2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(2-methylpropyl)acetamide
SMILESCc1c(Cl)c(C(F)F)nn1CC(=O)NCC(C)C
InChIInChI=1S/C11H16ClF2N3O/c1-6(2)4-15-8(18)5-17-7(3)9(12)10(16-17)11(13)14/h6,11H,4-5H2,1-3H3,(H,15,18)
InChIKeyYIFOUPFTHWXCTP-UHFFFAOYSA-N
MW279.72 g/mol
LogP2.55
Rot. Bonds5

About 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(2-methylpropyl)acetamide

2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(2-methylpropyl)acetamide (PubChem CID 19517453) has the molecular formula C11H16ClF2N3O and a molecular weight of 279.72 g/mol. Its IUPAC name is 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(2-methylpropyl)acetamide
PubChem CID19517453
Molecular FormulaC11H16ClF2N3O
Molecular Weight279.72 g/mol
Exact Mass279.09
IUPAC Name2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(2-methylpropyl)acetamide
SMILESCc1c(Cl)c(C(F)F)nn1CC(=O)NCC(C)C
InChIInChI=1S/C11H16ClF2N3O/c1-6(2)4-15-8(18)5-17-7(3)9(12)10(16-17)11(13)14/h6,11H,4-5H2,1-3H3,(H,15,18)
InChIKeyYIFOUPFTHWXCTP-UHFFFAOYSA-N
XLogP2.55
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.72
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(2-methylpropyl)acetamide (CID 19517453) is 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(2-methylpropyl)acetamide is Cc1c(Cl)c(C(F)F)nn1CC(=O)NCC(C)C.
What is the InChIKey of 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(2-methylpropyl)acetamide?
The InChIKey is YIFOUPFTHWXCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClF2N3O/c1-6(2)4-15-8(18)5-17-7(3)9(12)10(16-17)11(13)14/h6,11H,4-5H2,1-3H3,(H,15,18).
What are the key properties of 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(2-methylpropyl)acetamide?
2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(2-methylpropyl)acetamide has a molecular weight of 279.72 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 19517453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).