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

C16H22ClF2N5O — CID 4768666

IUPAC2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide
SMILESCCn1nc(C)c(CN(C)C(=O)Cn2nc(C(F)F)c(Cl)c2C)c1C
InChIInChI=1S/C16H22ClF2N5O/c1-6-23-10(3)12(9(2)20-23)7-22(5)13(25)8-24-11(4)14(17)15(21-24)16(18)19/h16H,6-8H2,1-5H3
InChIKeyWVUCPOJAEZMRRO-UHFFFAOYSA-N
MW373.84 g/mol
LogP3.27
Rot. Bonds6

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

2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide (PubChem CID 4768666) has the molecular formula C16H22ClF2N5O and a molecular weight of 373.84 g/mol. Its IUPAC name is 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide
PubChem CID4768666
Molecular FormulaC16H22ClF2N5O
Molecular Weight373.84 g/mol
Exact Mass373.15
IUPAC Name2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide
SMILESCCn1nc(C)c(CN(C)C(=O)Cn2nc(C(F)F)c(Cl)c2C)c1C
InChIInChI=1S/C16H22ClF2N5O/c1-6-23-10(3)12(9(2)20-23)7-22(5)13(25)8-24-11(4)14(17)15(21-24)16(18)19/h16H,6-8H2,1-5H3
InChIKeyWVUCPOJAEZMRRO-UHFFFAOYSA-N
XLogP3.27
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-Chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-piperidin-1-ylethanone
CID 742296
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N,N-diethylacetamide
CID 3455021
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-methyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]acetamide
CID 4769507
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-N-methylacetamide
CID 4770455
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylacetamide
CID 4770780
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylacetamide
CID 4771328
4-chloro-1-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-3,5-dimethyl-1H-pyrazole
CID 15943587
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(dimethylamino)ethyl]-N-propylacetamide
CID 71884635
(2S)-N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-methyl-2-(2-oxopyrrolidin-1-yl)propanamide
CID 97899844
2-[4-Chloro-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-YL]-N~1~-methyl-N~1~-[(1,3,5-trimethyl-1H-pyrazol-4-YL)methyl]acetamide
CID 4768790
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-1-(3,5-dimethyl-1H-pyrazol-1-yl)propan-1-one
CID 4768903
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-methyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]propanamide
CID 4769363

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)methyl]-N-methylacetamide?
The IUPAC name of 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide (CID 4768666) is 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide?
The canonical SMILES for 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide is CCn1nc(C)c(CN(C)C(=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)methyl]-N-methylacetamide?
The InChIKey is WVUCPOJAEZMRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClF2N5O/c1-6-23-10(3)12(9(2)20-23)7-22(5)13(25)8-24-11(4)14(17)15(21-24)16(18)19/h16H,6-8H2,1-5H3.
What are the key properties of 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide?
2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide has a molecular weight of 373.84 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 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)methyl]-N-methylacetamide is sourced from PubChem (CID 4768666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).