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

C15H20ClF2N5O — CID 4768790

IUPAC2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
SMILESCc1nn(C)c(C)c1CN(C)C(=O)Cn1nc(C(F)F)c(Cl)c1C
InChIInChI=1S/C15H20ClF2N5O/c1-8-11(9(2)22(5)19-8)6-21(4)12(24)7-23-10(3)13(16)14(20-23)15(17)18/h15H,6-7H2,1-5H3
InChIKeyKJJTZHVDGSRGQW-UHFFFAOYSA-N
MW359.81 g/mol
LogP2.79
Rot. Bonds5

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

2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide (PubChem CID 4768790) has the molecular formula C15H20ClF2N5O and a molecular weight of 359.81 g/mol. Its IUPAC name is 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
PubChem CID4768790
Molecular FormulaC15H20ClF2N5O
Molecular Weight359.81 g/mol
Exact Mass359.13
IUPAC Name2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
SMILESCc1nn(C)c(C)c1CN(C)C(=O)Cn1nc(C(F)F)c(Cl)c1C
InChIInChI=1S/C15H20ClF2N5O/c1-8-11(9(2)22(5)19-8)6-21(4)12(24)7-23-10(3)13(16)14(20-23)15(17)18/h15H,6-7H2,1-5H3
InChIKeyKJJTZHVDGSRGQW-UHFFFAOYSA-N
XLogP2.79
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.81
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylacetamide
CID 4768666
N,1,3,5-tetramethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19477956
3-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-2-methylpropanoic acid
CID 132586017
2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 19582300
2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]propanoic acid
CID 64686967
4-bromo-N,1,3-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
CID 19478610
N'-methyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 115318737
N-[3-[[2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]phenyl]-1-methylpyrazole-3-carboxamide
CID 19517621
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylacetamide
CID 19531219
1-methyl-3-[(1-methylimidazol-2-yl)methyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
CID 119067480
N-butan-2-yl-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 134006182
(2S)-2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 51390032

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide?
The IUPAC name of 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide (CID 4768790) is 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide is Cc1nn(C)c(C)c1CN(C)C(=O)Cn1nc(C(F)F)c(Cl)c1C.
What is the InChIKey of 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide?
The InChIKey is KJJTZHVDGSRGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClF2N5O/c1-8-11(9(2)22(5)19-8)6-21(4)12(24)7-23-10(3)13(16)14(20-23)15(17)18/h15H,6-7H2,1-5H3.
What are the key properties of 2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide?
2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide has a molecular weight of 359.81 g/mol, XLogP of 2.79, 5 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-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 4768790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).