N-[2-(2,6-dichlorophenyl)ethyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide

C19H16Cl2FN3O — CID 60566225

IUPACN-[2-(2,6-dichlorophenyl)ethyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCCc2c(Cl)cccc2Cl)cnn1-c1ccccc1F
InChIInChI=1S/C19H16Cl2FN3O/c1-12-14(11-24-25(12)18-8-3-2-7-17(18)22)19(26)23-10-9-13-15(20)5-4-6-16(13)21/h2-8,11H,9-10H2,1H3,(H,23,26)
InChIKeyUJNHXNIEUDHWGZ-UHFFFAOYSA-N
MW392.26 g/mol
LogP4.60
Rot. Bonds5

About N-[2-(2,6-dichlorophenyl)ethyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide

N-[2-(2,6-dichlorophenyl)ethyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide (PubChem CID 60566225) has the molecular formula C19H16Cl2FN3O and a molecular weight of 392.26 g/mol. Its IUPAC name is N-[2-(2,6-dichlorophenyl)ethyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dichlorophenyl)ethyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
PubChem CID60566225
Molecular FormulaC19H16Cl2FN3O
Molecular Weight392.26 g/mol
Exact Mass391.07
IUPAC NameN-[2-(2,6-dichlorophenyl)ethyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCCc2c(Cl)cccc2Cl)cnn1-c1ccccc1F
InChIInChI=1S/C19H16Cl2FN3O/c1-12-14(11-24-25(12)18-8-3-2-7-17(18)22)19(26)23-10-9-13-15(20)5-4-6-16(13)21/h2-8,11H,9-10H2,1H3,(H,23,26)
InChIKeyUJNHXNIEUDHWGZ-UHFFFAOYSA-N
XLogP4.60
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.26
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]-5-methylpyrazole-4-carboxamide
CID 43049949
1-(2-fluorophenyl)-5-methyl-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide
CID 39561723
N-(2-amino-2-methylpropyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 119629809
1-(2-fluorophenyl)-5-methyl-N-[2-oxo-2-(propylamino)ethyl]pyrazole-4-carboxamide
CID 134026091
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 55521678
N-(3,4-dichlorophenyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 34735906
1-(2-fluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)-5-methylpyrazole-4-carboxamide
CID 111480283
N'-(2-fluorobenzoyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carbohydrazide
CID 33480680
1-(2-fluorophenyl)-N-(2-hydroxy-2,3-dimethylpentyl)-5-methylpyrazole-4-carboxamide
CID 111446698
1-(2-fluorophenyl)-5-methyl-N-[(1-phenylcyclopropyl)methyl]pyrazole-4-carboxamide
CID 134026765
N-(2-aminoethyl)-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide;hydrochloride
CID 119382600
1-(2-fluorophenyl)-5-methyl-N-(4-methylphenyl)pyrazole-4-carboxamide
CID 33398860

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dichlorophenyl)ethyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(2,6-dichlorophenyl)ethyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide (CID 60566225) is N-[2-(2,6-dichlorophenyl)ethyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(2,6-dichlorophenyl)ethyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(2,6-dichlorophenyl)ethyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide is Cc1c(C(=O)NCCc2c(Cl)cccc2Cl)cnn1-c1ccccc1F.
What is the InChIKey of N-[2-(2,6-dichlorophenyl)ethyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide?
The InChIKey is UJNHXNIEUDHWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2FN3O/c1-12-14(11-24-25(12)18-8-3-2-7-17(18)22)19(26)23-10-9-13-15(20)5-4-6-16(13)21/h2-8,11H,9-10H2,1H3,(H,23,26).
What are the key properties of N-[2-(2,6-dichlorophenyl)ethyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide?
N-[2-(2,6-dichlorophenyl)ethyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide has a molecular weight of 392.26 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dichlorophenyl)ethyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 60566225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).