N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-2,3,4-trimethoxybenzamide

C17H21Cl2N3O4 — CID 19332159

IUPACN-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-2,3,4-trimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCCn2nc(C)c(Cl)c2Cl)c(OC)c1OC
InChIInChI=1S/C17H21Cl2N3O4/c1-10-13(18)16(19)22(21-10)9-5-8-20-17(23)11-6-7-12(24-2)15(26-4)14(11)25-3/h6-7H,5,8-9H2,1-4H3,(H,20,23)
InChIKeyGMKOCORYMBDPNQ-UHFFFAOYSA-N
MW402.28 g/mol
LogP3.34
Rot. Bonds8

About N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-2,3,4-trimethoxybenzamide

N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-2,3,4-trimethoxybenzamide (PubChem CID 19332159) has the molecular formula C17H21Cl2N3O4 and a molecular weight of 402.28 g/mol. Its IUPAC name is N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-2,3,4-trimethoxybenzamide.

Molecular Properties

Compound NameN-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-2,3,4-trimethoxybenzamide
PubChem CID19332159
Molecular FormulaC17H21Cl2N3O4
Molecular Weight402.28 g/mol
Exact Mass401.09
IUPAC NameN-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-2,3,4-trimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCCn2nc(C)c(Cl)c2Cl)c(OC)c1OC
InChIInChI=1S/C17H21Cl2N3O4/c1-10-13(18)16(19)22(21-10)9-5-8-20-17(23)11-6-7-12(24-2)15(26-4)14(11)25-3/h6-7H,5,8-9H2,1-4H3,(H,20,23)
InChIKeyGMKOCORYMBDPNQ-UHFFFAOYSA-N
XLogP3.34
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.28
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2,3,4-trimethoxybenzamide
CID 91785507
4-chloro-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]benzamide
CID 19332207
2,3,4-trimethoxy-N-nonylbenzamide
CID 46549952
N-(3-cyanopropyl)-2,3,4-trimethoxybenzamide
CID 62667011
N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19513158
3-(4-chlorophenyl)-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-1H-pyrazole-5-carboxamide
CID 19509582
2,3-dimethoxy-N-[3-(6-oxopyridazin-1-yl)propyl]benzamide
CID 30948423
N-[3-(4-chloropyrazol-1-yl)propyl]-2,3-dimethoxybenzamide
CID 4777497
2,3,4-trimethoxy-N-(2-sulfamoylethyl)benzamide
CID 61068031
2,3,4-trimethoxy-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9472517
1-butyl-3-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]urea
CID 19334062
4-chloro-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-1-ethylpyrazole-3-carboxamide
CID 19263512

Frequently Asked Questions

What is the IUPAC name of N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-2,3,4-trimethoxybenzamide?
The IUPAC name of N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-2,3,4-trimethoxybenzamide (CID 19332159) is N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-2,3,4-trimethoxybenzamide.
What is the SMILES notation for N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-2,3,4-trimethoxybenzamide?
The canonical SMILES for N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-2,3,4-trimethoxybenzamide is COc1ccc(C(=O)NCCCn2nc(C)c(Cl)c2Cl)c(OC)c1OC.
What is the InChIKey of N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-2,3,4-trimethoxybenzamide?
The InChIKey is GMKOCORYMBDPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Cl2N3O4/c1-10-13(18)16(19)22(21-10)9-5-8-20-17(23)11-6-7-12(24-2)15(26-4)14(11)25-3/h6-7H,5,8-9H2,1-4H3,(H,20,23).
What are the key properties of N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-2,3,4-trimethoxybenzamide?
N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-2,3,4-trimethoxybenzamide has a molecular weight of 402.28 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-2,3,4-trimethoxybenzamide is sourced from PubChem (CID 19332159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).