N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide

C18H25ClN4O — CID 110278380

IUPACN-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
SMILESCc1cc(C)n(CC(=O)NC(CCN(C)C)c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H25ClN4O/c1-13-11-14(2)23(21-13)12-18(24)20-17(9-10-22(3)4)15-5-7-16(19)8-6-15/h5-8,11,17H,9-10,12H2,1-4H3,(H,20,24)
InChIKeyJWZSECLJHBZVQG-UHFFFAOYSA-N
MW348.88 g/mol
LogP2.96
Rot. Bonds7

About N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide

N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide (PubChem CID 110278380) has the molecular formula C18H25ClN4O and a molecular weight of 348.88 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
PubChem CID110278380
Molecular FormulaC18H25ClN4O
Molecular Weight348.88 g/mol
Exact Mass348.17
IUPAC NameN-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
SMILESCc1cc(C)n(CC(=O)NC(CCN(C)C)c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H25ClN4O/c1-13-11-14(2)23(21-13)12-18(24)20-17(9-10-22(3)4)15-5-7-16(19)8-6-15/h5-8,11,17H,9-10,12H2,1-4H3,(H,20,24)
InChIKeyJWZSECLJHBZVQG-UHFFFAOYSA-N
XLogP2.96
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.88
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]acetamide
CID 110278378
2-(4-chlorophenyl)-N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]acetamide
CID 110278648
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-(4-methoxyphenyl)acetamide
CID 15983443
N-[2,3-bis(4-chlorophenyl)butyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 69148173
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 75358387
2-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylacetamide
CID 19525814
N-[(1R)-3-(dimethylamino)-1-phenylpropyl]-2-(3-methylpyrazol-1-yl)acetamide
CID 125446316
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-oxo-4-pyrrolidin-1-ylbutanamide
CID 110278509
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]pyridine-4-carboxamide
CID 110278637
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 94016885
3-(4-chlorophenyl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]propanehydrazide
CID 34390205
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(4-fluorophenyl)propanamide
CID 110278571

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The IUPAC name of N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide (CID 110278380) is N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide is Cc1cc(C)n(CC(=O)NC(CCN(C)C)c2ccc(Cl)cc2)n1.
What is the InChIKey of N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The InChIKey is JWZSECLJHBZVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN4O/c1-13-11-14(2)23(21-13)12-18(24)20-17(9-10-22(3)4)15-5-7-16(19)8-6-15/h5-8,11,17H,9-10,12H2,1-4H3,(H,20,24).
What are the key properties of N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide?
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide has a molecular weight of 348.88 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide is sourced from PubChem (CID 110278380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).