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

C15H22ClN5O — CID 19540198

IUPAC3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N,2-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]propanamide
SMILESCc1nn(CC(C)C(=O)N(C)Cc2ccnn2C)c(C)c1Cl
InChIInChI=1S/C15H22ClN5O/c1-10(8-21-12(3)14(16)11(2)18-21)15(22)19(4)9-13-6-7-17-20(13)5/h6-7,10H,8-9H2,1-5H3
InChIKeyPSAZUPYZKVJMNH-UHFFFAOYSA-N
MW323.83 g/mol
LogP2.18
Rot. Bonds5

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

3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N,2-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]propanamide (PubChem CID 19540198) has the molecular formula C15H22ClN5O and a molecular weight of 323.83 g/mol. Its IUPAC name is 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N,2-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N,2-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]propanamide
PubChem CID19540198
Molecular FormulaC15H22ClN5O
Molecular Weight323.83 g/mol
Exact Mass323.15
IUPAC Name3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N,2-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]propanamide
SMILESCc1nn(CC(C)C(=O)N(C)Cc2ccnn2C)c(C)c1Cl
InChIInChI=1S/C15H22ClN5O/c1-10(8-21-12(3)14(16)11(2)18-21)15(22)19(4)9-13-6-7-17-20(13)5/h6-7,10H,8-9H2,1-5H3
InChIKeyPSAZUPYZKVJMNH-UHFFFAOYSA-N
XLogP2.18
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.83
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,2-dimethylpropanamide
CID 19460700
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N,2-dimethylpropanamide
CID 19540193
1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
CID 19278434
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N,2-dimethylpropanamide
CID 19540196
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylacetamide
CID 19531219
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 19525222
2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 19531250
2-(1,3-dimethylpyrazolo[4,3-c]pyrazol-5-yl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]propanamide
CID 56686259
2-chloro-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 19619342
4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 19458295
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(2-ethylpyrazol-3-yl)ethyl]-2-methylpropanamide
CID 19568700
2-(4-bromo-5-methylpyrazol-1-yl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 19531074

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N,2-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]propanamide?
The IUPAC name of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N,2-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]propanamide (CID 19540198) is 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N,2-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]propanamide.
What is the SMILES notation for 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N,2-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]propanamide?
The canonical SMILES for 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N,2-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]propanamide is Cc1nn(CC(C)C(=O)N(C)Cc2ccnn2C)c(C)c1Cl.
What is the InChIKey of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N,2-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]propanamide?
The InChIKey is PSAZUPYZKVJMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN5O/c1-10(8-21-12(3)14(16)11(2)18-21)15(22)19(4)9-13-6-7-17-20(13)5/h6-7,10H,8-9H2,1-5H3.
What are the key properties of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N,2-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]propanamide?
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N,2-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]propanamide has a molecular weight of 323.83 g/mol, XLogP of 2.18, 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,2-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]propanamide is sourced from PubChem (CID 19540198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).