3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-(diethylamino)propyl]-2-methylpropanamide

C16H29ClN4O — CID 19568730

IUPAC3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-(diethylamino)propyl]-2-methylpropanamide
SMILESCCN(CC)CCCNC(=O)C(C)Cn1nc(C)c(Cl)c1C
InChIInChI=1S/C16H29ClN4O/c1-6-20(7-2)10-8-9-18-16(22)12(3)11-21-14(5)15(17)13(4)19-21/h12H,6-11H2,1-5H3,(H,18,22)
InChIKeyKYIHOFRFOVQJBV-UHFFFAOYSA-N
MW328.89 g/mol
LogP2.64
Rot. Bonds9

About 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-(diethylamino)propyl]-2-methylpropanamide

3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-(diethylamino)propyl]-2-methylpropanamide (PubChem CID 19568730) has the molecular formula C16H29ClN4O and a molecular weight of 328.89 g/mol. Its IUPAC name is 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-(diethylamino)propyl]-2-methylpropanamide.

Molecular Properties

Compound Name3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-(diethylamino)propyl]-2-methylpropanamide
PubChem CID19568730
Molecular FormulaC16H29ClN4O
Molecular Weight328.89 g/mol
Exact Mass328.20
IUPAC Name3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-(diethylamino)propyl]-2-methylpropanamide
SMILESCCN(CC)CCCNC(=O)C(C)Cn1nc(C)c(Cl)c1C
InChIInChI=1S/C16H29ClN4O/c1-6-20(7-2)10-8-9-18-16(22)12(3)11-21-14(5)15(17)13(4)19-21/h12H,6-11H2,1-5H3,(H,18,22)
InChIKeyKYIHOFRFOVQJBV-UHFFFAOYSA-N
XLogP2.64
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.89
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-prop-2-enylpropanamide
CID 19568482
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
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19568316
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)-2-methylpropanamide
CID 19564273
(2R)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 51597984
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(2-ethylpyrazol-3-yl)ethyl]-2-methylpropanamide
CID 19568700
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide
CID 45154227
4-[[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpropanoyl]amino]-1-ethylpyrazole-3-carboxamide
CID 19568619
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N,2-dimethylpropanamide
CID 19540193
N-[3-[3-[3-aminopropyl(ethyl)amino]propyl-ethylamino]propyl]-2-methylbutanamide;ethane
CID 142817480
N-(2-aminoethyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide;hydrochloride
CID 119384557

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-(diethylamino)propyl]-2-methylpropanamide?
The IUPAC name of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-(diethylamino)propyl]-2-methylpropanamide (CID 19568730) is 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-(diethylamino)propyl]-2-methylpropanamide.
What is the SMILES notation for 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-(diethylamino)propyl]-2-methylpropanamide?
The canonical SMILES for 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-(diethylamino)propyl]-2-methylpropanamide is CCN(CC)CCCNC(=O)C(C)Cn1nc(C)c(Cl)c1C.
What is the InChIKey of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-(diethylamino)propyl]-2-methylpropanamide?
The InChIKey is KYIHOFRFOVQJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29ClN4O/c1-6-20(7-2)10-8-9-18-16(22)12(3)11-21-14(5)15(17)13(4)19-21/h12H,6-11H2,1-5H3,(H,18,22).
What are the key properties of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-(diethylamino)propyl]-2-methylpropanamide?
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-(diethylamino)propyl]-2-methylpropanamide has a molecular weight of 328.89 g/mol, XLogP of 2.64, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-(diethylamino)propyl]-2-methylpropanamide is sourced from PubChem (CID 19568730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).