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

C16H24ClN5O — CID 19575660

IUPAC3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylpropanamide
SMILESCCn1ncc(CN(C)C(=O)CCn2nc(C)c(Cl)c2C)c1C
InChIInChI=1S/C16H24ClN5O/c1-6-21-12(3)14(9-18-21)10-20(5)15(23)7-8-22-13(4)16(17)11(2)19-22/h9H,6-8,10H2,1-5H3
InChIKeyFIGAXZKAHPTIBJ-UHFFFAOYSA-N
MW337.86 g/mol
LogP2.73
Rot. Bonds6

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

3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylpropanamide (PubChem CID 19575660) has the molecular formula C16H24ClN5O and a molecular weight of 337.86 g/mol. Its IUPAC name is 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylpropanamide
PubChem CID19575660
Molecular FormulaC16H24ClN5O
Molecular Weight337.86 g/mol
Exact Mass337.17
IUPAC Name3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylpropanamide
SMILESCCn1ncc(CN(C)C(=O)CCn2nc(C)c(Cl)c2C)c1C
InChIInChI=1S/C16H24ClN5O/c1-6-21-12(3)14(9-18-21)10-20(5)15(23)7-8-22-13(4)16(17)11(2)19-22/h9H,6-8,10H2,1-5H3
InChIKeyFIGAXZKAHPTIBJ-UHFFFAOYSA-N
XLogP2.73
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.86
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)-1-{2-[(4-methyl-1H-pyrazol-1-yl)methyl]pyrrolidin-1-yl}ethan-1-one
CID 56779421
2-(4-chloro-3-methyl-1H-pyrazol-1-yl)-1-{4-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]piperazin-1-yl}ethanone
CID 4771902
4-chloro-1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-3-oxopropyl]-3,5-dimethyl-1H-pyrazole
CID 15943589
3-(4-Bromo-3,5-dimethyl-1H-pyrazol-1-YL)-1-{4-[(1,5-dimethyl-1H-pyrazol-4-YL)methyl]piperazino}-1-propanone
CID 19575420
2-(4-Chloro-3,5-dimethylpyrazol-1-yl)-1-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 56779092
3-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylpropanamide
CID 1000446
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
3-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]propanamide
CID 17023044
3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylpropanamide
CID 4770579
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-1-(4-methyl-1H-pyrazol-1-yl)ethanone
CID 4772844

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylpropanamide?
The IUPAC name of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylpropanamide (CID 19575660) is 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylpropanamide.
What is the SMILES notation for 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylpropanamide?
The canonical SMILES for 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylpropanamide is CCn1ncc(CN(C)C(=O)CCn2nc(C)c(Cl)c2C)c1C.
What is the InChIKey of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylpropanamide?
The InChIKey is FIGAXZKAHPTIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN5O/c1-6-21-12(3)14(9-18-21)10-20(5)15(23)7-8-22-13(4)16(17)11(2)19-22/h9H,6-8,10H2,1-5H3.
What are the key properties of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylpropanamide?
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylpropanamide has a molecular weight of 337.86 g/mol, XLogP of 2.73, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylpropanamide is sourced from PubChem (CID 19575660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).