N-[2-(2,4-dichlorophenyl)ethyl]-1-methylpyrazole-4-carboxamide

C13H13Cl2N3O — CID 9269519

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCCc2ccc(Cl)cc2Cl)cn1
InChIInChI=1S/C13H13Cl2N3O/c1-18-8-10(7-17-18)13(19)16-5-4-9-2-3-11(14)6-12(9)15/h2-3,6-8H,4-5H2,1H3,(H,16,19)
InChIKeyRLDGBWGZPSTHGZ-UHFFFAOYSA-N
MW298.17 g/mol
LogP2.70
Rot. Bonds4

About N-[2-(2,4-dichlorophenyl)ethyl]-1-methylpyrazole-4-carboxamide

N-[2-(2,4-dichlorophenyl)ethyl]-1-methylpyrazole-4-carboxamide (PubChem CID 9269519) has the molecular formula C13H13Cl2N3O and a molecular weight of 298.17 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-1-methylpyrazole-4-carboxamide
PubChem CID9269519
Molecular FormulaC13H13Cl2N3O
Molecular Weight298.17 g/mol
Exact Mass297.04
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCCc2ccc(Cl)cc2Cl)cn1
InChIInChI=1S/C13H13Cl2N3O/c1-18-8-10(7-17-18)13(19)16-5-4-9-2-3-11(14)6-12(9)15/h2-3,6-8H,4-5H2,1H3,(H,16,19)
InChIKeyRLDGBWGZPSTHGZ-UHFFFAOYSA-N
XLogP2.70
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide
CID 17472910
N-[2-(2,4-dichlorophenyl)ethyl]-5,6-dimethylpyridine-3-carboxamide
CID 73388060
N-[2-(2,4-dichlorophenyl)ethyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 112838213
3-N-[2-(2,4-dichlorophenyl)ethyl]-5-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 109101412
N-[2-(2,4-dichlorophenyl)ethyl]-3-hydroxy-4-methylbenzamide
CID 29051396
5,6-dichloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-3-carboxamide
CID 78968072
N-[2-(2,4-dichlorophenyl)ethyl]-1-methylpyrrolidine-2-carboxamide
CID 110856253
3-chloro-4-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 47291440
4-chloro-2-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 112731782
5-(tert-butylamino)-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide
CID 109239385
N-[2-(3,5-difluorophenyl)ethyl]-1-methylpyrazole-4-carboxamide
CID 110471449
4-bromo-3-chloro-N-[2-(2,4-dichlorophenyl)ethyl]benzamide
CID 81295924

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-1-methylpyrazole-4-carboxamide (CID 9269519) is N-[2-(2,4-dichlorophenyl)ethyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)NCCc2ccc(Cl)cc2Cl)cn1.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is RLDGBWGZPSTHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O/c1-18-8-10(7-17-18)13(19)16-5-4-9-2-3-11(14)6-12(9)15/h2-3,6-8H,4-5H2,1H3,(H,16,19).
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-1-methylpyrazole-4-carboxamide?
N-[2-(2,4-dichlorophenyl)ethyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 298.17 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 9269519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).