N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-2,4-dimethylbenzamide

C16H20ClN3O — CID 19325839

IUPACN-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCCCn2cc(Cl)c(C)n2)c(C)c1
InChIInChI=1S/C16H20ClN3O/c1-11-5-6-14(12(2)9-11)16(21)18-7-4-8-20-10-15(17)13(3)19-20/h5-6,9-10H,4,7-8H2,1-3H3,(H,18,21)
InChIKeyITWRJOKPHSUGKW-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.28
Rot. Bonds5

About N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-2,4-dimethylbenzamide

N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-2,4-dimethylbenzamide (PubChem CID 19325839) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-2,4-dimethylbenzamide
PubChem CID19325839
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC NameN-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCCCn2cc(Cl)c(C)n2)c(C)c1
InChIInChI=1S/C16H20ClN3O/c1-11-5-6-14(12(2)9-11)16(21)18-7-4-8-20-10-15(17)13(3)19-20/h5-6,9-10H,4,7-8H2,1-3H3,(H,18,21)
InChIKeyITWRJOKPHSUGKW-UHFFFAOYSA-N
XLogP3.28
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2,4-dimethylbenzamide
CID 19329942
2-(4-chlorobenzoyl)-N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]benzamide
CID 19325848
N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-2,4-dimethylbenzenesulfonamide
CID 22207324
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-2,4-dimethylbenzamide
CID 19330154
N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-4-[(2,6-dimethylphenoxy)methyl]benzamide
CID 19325826
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-methylbenzamide
CID 19329993
N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512202
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2,5-dimethylbenzamide
CID 19295543
N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-3-(4-methylpyrazol-1-yl)propanamide
CID 19559737
2-[5-[3-(4-chloro-3-methylpyrazol-1-yl)propylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19487678
N-(4-iodobutyl)-2,4-dimethylbenzamide
CID 106846408
N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-4-methylbenzenesulfonamide
CID 19581232

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-2,4-dimethylbenzamide?
The IUPAC name of N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-2,4-dimethylbenzamide (CID 19325839) is N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-2,4-dimethylbenzamide.
What is the SMILES notation for N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-2,4-dimethylbenzamide?
The canonical SMILES for N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-2,4-dimethylbenzamide is Cc1ccc(C(=O)NCCCn2cc(Cl)c(C)n2)c(C)c1.
What is the InChIKey of N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-2,4-dimethylbenzamide?
The InChIKey is ITWRJOKPHSUGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-11-5-6-14(12(2)9-11)16(21)18-7-4-8-20-10-15(17)13(3)19-20/h5-6,9-10H,4,7-8H2,1-3H3,(H,18,21).
What are the key properties of N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-2,4-dimethylbenzamide?
N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-2,4-dimethylbenzamide has a molecular weight of 305.81 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-2,4-dimethylbenzamide is sourced from PubChem (CID 19325839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).