3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-prop-2-enylpropanamide

C12H18ClN3O — CID 19568482

IUPAC3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)Cn1nc(C)c(Cl)c1C
InChIInChI=1S/C12H18ClN3O/c1-5-6-14-12(17)8(2)7-16-10(4)11(13)9(3)15-16/h5,8H,1,6-7H2,2-4H3,(H,14,17)
InChIKeyPVHORBZOEJKRPP-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.09
Rot. Bonds5

About 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-prop-2-enylpropanamide

3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-prop-2-enylpropanamide (PubChem CID 19568482) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-prop-2-enylpropanamide
PubChem CID19568482
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)Cn1nc(C)c(Cl)c1C
InChIInChI=1S/C12H18ClN3O/c1-5-6-14-12(17)8(2)7-16-10(4)11(13)9(3)15-16/h5,8H,1,6-7H2,2-4H3,(H,14,17)
InChIKeyPVHORBZOEJKRPP-UHFFFAOYSA-N
XLogP2.09
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-(diethylamino)propyl]-2-methylpropanamide
CID 19568730
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylpropanamide
CID 19294406
(2S)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 39854745
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide
CID 45154227
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(2-ethylpyrazol-3-yl)ethyl]-2-methylpropanamide
CID 19568700
(2R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 51597984
(2S)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)-2-methylpropanamide
CID 35526261
4-[[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]amino]-1-methylpyrazole-5-carboxamide
CID 19412394
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-(1-methylbenzimidazol-2-yl)propanamide
CID 19568517
2-methyl-N-prop-2-enylbutanamide
CID 20811204
(2R)-2-methyl-N-prop-2-enylbutanamide
CID 55303611
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)-2-methylpropanamide
CID 19564273

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-prop-2-enylpropanamide?
The IUPAC name of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-prop-2-enylpropanamide (CID 19568482) is 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-prop-2-enylpropanamide.
What is the SMILES notation for 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-prop-2-enylpropanamide?
The canonical SMILES for 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)Cn1nc(C)c(Cl)c1C.
What is the InChIKey of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-prop-2-enylpropanamide?
The InChIKey is PVHORBZOEJKRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-5-6-14-12(17)8(2)7-16-10(4)11(13)9(3)15-16/h5,8H,1,6-7H2,2-4H3,(H,14,17).
What are the key properties of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-prop-2-enylpropanamide?
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-prop-2-enylpropanamide has a molecular weight of 255.75 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-prop-2-enylpropanamide is sourced from PubChem (CID 19568482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).