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

C12H14ClF2N5O — CID 19283452

IUPACN-[2-(4-chloropyrazol-1-yl)ethyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide
SMILESCc1cc(C(F)F)nn1CC(=O)NCCn1cc(Cl)cn1
InChIInChI=1S/C12H14ClF2N5O/c1-8-4-10(12(14)15)18-20(8)7-11(21)16-2-3-19-6-9(13)5-17-19/h4-6,12H,2-3,7H2,1H3,(H,16,21)
InChIKeyZXWJLWIARTXLFU-UHFFFAOYSA-N
MW317.73 g/mol
LogP1.80
Rot. Bonds6

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

N-[2-(4-chloropyrazol-1-yl)ethyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide (PubChem CID 19283452) has the molecular formula C12H14ClF2N5O and a molecular weight of 317.73 g/mol. Its IUPAC name is N-[2-(4-chloropyrazol-1-yl)ethyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-chloropyrazol-1-yl)ethyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide
PubChem CID19283452
Molecular FormulaC12H14ClF2N5O
Molecular Weight317.73 g/mol
Exact Mass317.09
IUPAC NameN-[2-(4-chloropyrazol-1-yl)ethyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide
SMILESCc1cc(C(F)F)nn1CC(=O)NCCn1cc(Cl)cn1
InChIInChI=1S/C12H14ClF2N5O/c1-8-4-10(12(14)15)18-20(8)7-11(21)16-2-3-19-6-9(13)5-17-19/h4-6,12H,2-3,7H2,1H3,(H,16,21)
InChIKeyZXWJLWIARTXLFU-UHFFFAOYSA-N
XLogP1.80
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.73
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(4-chloropyrazol-1-yl)propyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 19525923
N-[3-(4-chloropyrazol-1-yl)propyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19519261
N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(5-methylpyrazol-1-yl)acetamide
CID 19283450
2-(4-chloropyrazol-1-yl)-N-[2-(4-chloropyrazol-1-yl)ethyl]acetamide
CID 19283543
N-[3-(4-chloropyrazol-1-yl)propyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide
CID 19539526
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide
CID 19519490
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-hexylacetamide
CID 19523586
N-[3-(4-chloropyrazol-1-yl)propyl]-2-(5-methylpyrazol-1-yl)acetamide
CID 19522915
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide
CID 19519400
3-(4-chloropyrazol-1-yl)-N-[2-(4-chloropyrazol-1-yl)ethyl]propanamide
CID 19283459
N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide
CID 19519622
1-[2-[2-(4-chloropyrazol-1-yl)ethylamino]-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19622359

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloropyrazol-1-yl)ethyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide?
The IUPAC name of N-[2-(4-chloropyrazol-1-yl)ethyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide (CID 19283452) is N-[2-(4-chloropyrazol-1-yl)ethyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide.
What is the SMILES notation for N-[2-(4-chloropyrazol-1-yl)ethyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide?
The canonical SMILES for N-[2-(4-chloropyrazol-1-yl)ethyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide is Cc1cc(C(F)F)nn1CC(=O)NCCn1cc(Cl)cn1.
What is the InChIKey of N-[2-(4-chloropyrazol-1-yl)ethyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide?
The InChIKey is ZXWJLWIARTXLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF2N5O/c1-8-4-10(12(14)15)18-20(8)7-11(21)16-2-3-19-6-9(13)5-17-19/h4-6,12H,2-3,7H2,1H3,(H,16,21).
What are the key properties of N-[2-(4-chloropyrazol-1-yl)ethyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide?
N-[2-(4-chloropyrazol-1-yl)ethyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide has a molecular weight of 317.73 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloropyrazol-1-yl)ethyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide is sourced from PubChem (CID 19283452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).