N-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-[(2-methyloxolan-2-yl)methyl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide

C19H18Cl2F3N3O3 — CID 123777038

IUPACN-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-[(2-methyloxolan-2-yl)methyl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
SMILESCC1(CN(CC(=O)c2c(Cl)cccc2Cl)C(=O)c2cn[nH]c2C(F)(F)F)CCCO1
InChIInChI=1S/C19H18Cl2F3N3O3/c1-18(6-3-7-30-18)10-27(9-14(28)15-12(20)4-2-5-13(15)21)17(29)11-8-25-26-16(11)19(22,23)24/h2,4-5,8H,3,6-7,9-10H2,1H3,(H,25,26)
InChIKeyGKUSLPVNFABADU-UHFFFAOYSA-N
MW464.27 g/mol
LogP4.63
Rot. Bonds6

About N-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-[(2-methyloxolan-2-yl)methyl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide

N-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-[(2-methyloxolan-2-yl)methyl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide (PubChem CID 123777038) has the molecular formula C19H18Cl2F3N3O3 and a molecular weight of 464.27 g/mol. Its IUPAC name is N-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-[(2-methyloxolan-2-yl)methyl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-[(2-methyloxolan-2-yl)methyl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
PubChem CID123777038
Molecular FormulaC19H18Cl2F3N3O3
Molecular Weight464.27 g/mol
Exact Mass463.07
IUPAC NameN-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-[(2-methyloxolan-2-yl)methyl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
SMILESCC1(CN(CC(=O)c2c(Cl)cccc2Cl)C(=O)c2cn[nH]c2C(F)(F)F)CCCO1
InChIInChI=1S/C19H18Cl2F3N3O3/c1-18(6-3-7-30-18)10-27(9-14(28)15-12(20)4-2-5-13(15)21)17(29)11-8-25-26-16(11)19(22,23)24/h2,4-5,8H,3,6-7,9-10H2,1H3,(H,25,26)
InChIKeyGKUSLPVNFABADU-UHFFFAOYSA-N
XLogP4.63
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.27
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-[(2-methyloxolan-2-yl)methyl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-[(2-methyloxolan-2-yl)methyl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-[(2-methyloxolan-2-yl)methyl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide (CID 123777038) is N-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-[(2-methyloxolan-2-yl)methyl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-[(2-methyloxolan-2-yl)methyl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-[(2-methyloxolan-2-yl)methyl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide is CC1(CN(CC(=O)c2c(Cl)cccc2Cl)C(=O)c2cn[nH]c2C(F)(F)F)CCCO1.
What is the InChIKey of N-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-[(2-methyloxolan-2-yl)methyl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is GKUSLPVNFABADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2F3N3O3/c1-18(6-3-7-30-18)10-27(9-14(28)15-12(20)4-2-5-13(15)21)17(29)11-8-25-26-16(11)19(22,23)24/h2,4-5,8H,3,6-7,9-10H2,1H3,(H,25,26).
What are the key properties of N-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-[(2-methyloxolan-2-yl)methyl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
N-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-[(2-methyloxolan-2-yl)methyl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 464.27 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dichlorophenyl)-2-oxoethyl]-N-[(2-methyloxolan-2-yl)methyl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 123777038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).