N-[3-(4-chloropyrazol-1-yl)propyl]-2,3-dimethoxybenzamide

C15H18ClN3O3 — CID 4777497

IUPACN-[3-(4-chloropyrazol-1-yl)propyl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)NCCCn2cc(Cl)cn2)c1OC
InChIInChI=1S/C15H18ClN3O3/c1-21-13-6-3-5-12(14(13)22-2)15(20)17-7-4-8-19-10-11(16)9-18-19/h3,5-6,9-10H,4,7-8H2,1-2H3,(H,17,20)
InChIKeyDNRDBVJODKEOIX-UHFFFAOYSA-N
MW323.78 g/mol
LogP2.37
Rot. Bonds7

About N-[3-(4-chloropyrazol-1-yl)propyl]-2,3-dimethoxybenzamide

N-[3-(4-chloropyrazol-1-yl)propyl]-2,3-dimethoxybenzamide (PubChem CID 4777497) has the molecular formula C15H18ClN3O3 and a molecular weight of 323.78 g/mol. Its IUPAC name is N-[3-(4-chloropyrazol-1-yl)propyl]-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-[3-(4-chloropyrazol-1-yl)propyl]-2,3-dimethoxybenzamide
PubChem CID4777497
Molecular FormulaC15H18ClN3O3
Molecular Weight323.78 g/mol
Exact Mass323.10
IUPAC NameN-[3-(4-chloropyrazol-1-yl)propyl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)NCCCn2cc(Cl)cn2)c1OC
InChIInChI=1S/C15H18ClN3O3/c1-21-13-6-3-5-12(14(13)22-2)15(20)17-7-4-8-19-10-11(16)9-18-19/h3,5-6,9-10H,4,7-8H2,1-2H3,(H,17,20)
InChIKeyDNRDBVJODKEOIX-UHFFFAOYSA-N
XLogP2.37
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,3-dimethoxy-N-[3-(6-oxopyridazin-1-yl)propyl]benzamide
CID 30948423
N-[3-(4-chloropyrazol-1-yl)propyl]-3-[(2-methoxyphenoxy)methyl]benzamide
CID 19330280
N-(3-iodopropyl)-2,3-dimethoxybenzamide
CID 114504514
N-(4-hydroxybutyl)-2,3-dimethoxybenzamide
CID 106843372
N-(6-bromohexyl)-2,3-dimethoxybenzamide
CID 107847510
N-[3-(ethylamino)propyl]-2,3-dimethoxybenzamide
CID 43601624
2,3-dimethoxy-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 35416174
N-[3-(4-chloropyrazol-1-yl)propyl]-4-methoxy-3-nitrobenzamide
CID 19330272
N-[3-(4-chloropyrazol-1-yl)propyl]acetamide
CID 19331985
N-[3-(4-chloropyrazol-1-yl)propyl]-1-(methoxymethyl)pyrazole-3-carboxamide
CID 19270945
N-[(4-chlorophenyl)methyl]-2,3-dimethoxybenzamide
CID 912340
N-[3-(4-chloropyrazol-1-yl)propyl]-2-(2-methylphenoxy)acetamide
CID 19331958

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chloropyrazol-1-yl)propyl]-2,3-dimethoxybenzamide?
The IUPAC name of N-[3-(4-chloropyrazol-1-yl)propyl]-2,3-dimethoxybenzamide (CID 4777497) is N-[3-(4-chloropyrazol-1-yl)propyl]-2,3-dimethoxybenzamide.
What is the SMILES notation for N-[3-(4-chloropyrazol-1-yl)propyl]-2,3-dimethoxybenzamide?
The canonical SMILES for N-[3-(4-chloropyrazol-1-yl)propyl]-2,3-dimethoxybenzamide is COc1cccc(C(=O)NCCCn2cc(Cl)cn2)c1OC.
What is the InChIKey of N-[3-(4-chloropyrazol-1-yl)propyl]-2,3-dimethoxybenzamide?
The InChIKey is DNRDBVJODKEOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O3/c1-21-13-6-3-5-12(14(13)22-2)15(20)17-7-4-8-19-10-11(16)9-18-19/h3,5-6,9-10H,4,7-8H2,1-2H3,(H,17,20).
What are the key properties of N-[3-(4-chloropyrazol-1-yl)propyl]-2,3-dimethoxybenzamide?
N-[3-(4-chloropyrazol-1-yl)propyl]-2,3-dimethoxybenzamide has a molecular weight of 323.78 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chloropyrazol-1-yl)propyl]-2,3-dimethoxybenzamide is sourced from PubChem (CID 4777497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).