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

C15H21Cl2N5O — CID 19460700

IUPAC3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,2-dimethylpropanamide
SMILESCc1nn(CC(C)C(=O)N(C)Cc2c(Cl)cnn2C)c(C)c1Cl
InChIInChI=1S/C15H21Cl2N5O/c1-9(7-22-11(3)14(17)10(2)19-22)15(23)20(4)8-13-12(16)6-18-21(13)5/h6,9H,7-8H2,1-5H3
InChIKeyJXJQNZGIRGQJJO-UHFFFAOYSA-N
MW358.27 g/mol
LogP2.83
Rot. Bonds5

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

3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,2-dimethylpropanamide (PubChem CID 19460700) has the molecular formula C15H21Cl2N5O and a molecular weight of 358.27 g/mol. Its IUPAC name is 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,2-dimethylpropanamide
PubChem CID19460700
Molecular FormulaC15H21Cl2N5O
Molecular Weight358.27 g/mol
Exact Mass357.11
IUPAC Name3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,2-dimethylpropanamide
SMILESCc1nn(CC(C)C(=O)N(C)Cc2c(Cl)cnn2C)c(C)c1Cl
InChIInChI=1S/C15H21Cl2N5O/c1-9(7-22-11(3)14(17)10(2)19-22)15(23)20(4)8-13-12(16)6-18-21(13)5/h6,9H,7-8H2,1-5H3
InChIKeyJXJQNZGIRGQJJO-UHFFFAOYSA-N
XLogP2.83
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.27
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N,2-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]propanamide
CID 19540198
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N,2-dimethylpropanamide
CID 19540193
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylpropanamide
CID 19460697
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N,2-dimethylpropanamide
CID 19540196
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-methylpropanamide
CID 19458493
4-chloro-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 19278145
4-[[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]amino]-1-methylpyrazole-5-carboxamide
CID 19412394
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylbutanamide
CID 19460723
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,2-dimethylbenzamide
CID 19460736
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylpropanamide
CID 19294406
3-(4-chloro-1-methylpyrazol-5-yl)-2-methylpropanoic acid
CID 83832130
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(2-ethylpyrazol-3-yl)ethyl]-2-methylpropanamide
CID 19568700

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,2-dimethylpropanamide?
The IUPAC name of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,2-dimethylpropanamide (CID 19460700) is 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,2-dimethylpropanamide.
What is the SMILES notation for 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,2-dimethylpropanamide?
The canonical SMILES for 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,2-dimethylpropanamide is Cc1nn(CC(C)C(=O)N(C)Cc2c(Cl)cnn2C)c(C)c1Cl.
What is the InChIKey of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,2-dimethylpropanamide?
The InChIKey is JXJQNZGIRGQJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N5O/c1-9(7-22-11(3)14(17)10(2)19-22)15(23)20(4)8-13-12(16)6-18-21(13)5/h6,9H,7-8H2,1-5H3.
What are the key properties of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,2-dimethylpropanamide?
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,2-dimethylpropanamide has a molecular weight of 358.27 g/mol, XLogP of 2.83, 5 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-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,2-dimethylpropanamide is sourced from PubChem (CID 19460700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).