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

C14H18ClF2N5O — CID 4770756

IUPAC2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide
SMILESCCn1nc(C)c(NC(=O)Cn2nc(C(F)F)c(Cl)c2C)c1C
InChIInChI=1S/C14H18ClF2N5O/c1-5-21-9(4)12(7(2)19-21)18-10(23)6-22-8(3)11(15)13(20-22)14(16)17/h14H,5-6H2,1-4H3,(H,18,23)
InChIKeyQEMNIRMKKNZWCA-UHFFFAOYSA-N
MW345.78 g/mol
LogP3.25
Rot. Bonds5

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

2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide (PubChem CID 4770756) has the molecular formula C14H18ClF2N5O and a molecular weight of 345.78 g/mol. Its IUPAC name is 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide
PubChem CID4770756
Molecular FormulaC14H18ClF2N5O
Molecular Weight345.78 g/mol
Exact Mass345.12
IUPAC Name2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide
SMILESCCn1nc(C)c(NC(=O)Cn2nc(C(F)F)c(Cl)c2C)c1C
InChIInChI=1S/C14H18ClF2N5O/c1-5-21-9(4)12(7(2)19-21)18-10(23)6-22-8(3)11(15)13(20-22)14(16)17/h14H,5-6H2,1-4H3,(H,18,23)
InChIKeyQEMNIRMKKNZWCA-UHFFFAOYSA-N
XLogP3.25
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.78
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide (CID 4770756) is 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide is CCn1nc(C)c(NC(=O)Cn2nc(C(F)F)c(Cl)c2C)c1C.
What is the InChIKey of 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide?
The InChIKey is QEMNIRMKKNZWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF2N5O/c1-5-21-9(4)12(7(2)19-21)18-10(23)6-22-8(3)11(15)13(20-22)14(16)17/h14H,5-6H2,1-4H3,(H,18,23).
What are the key properties of 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide?
2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide has a molecular weight of 345.78 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 4770756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).