4-[[1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide

C20H22Cl2N6O3 — CID 19341944

IUPAC4-[[1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide
SMILESCC(C)CNC(=O)c1c(NC(=O)c2ccn(COc3c(Cl)cccc3Cl)n2)cnn1C
InChIInChI=1S/C20H22Cl2N6O3/c1-12(2)9-23-20(30)17-16(10-24-27(17)3)25-19(29)15-7-8-28(26-15)11-31-18-13(21)5-4-6-14(18)22/h4-8,10,12H,9,11H2,1-3H3,(H,23,30)(H,25,29)
InChIKeyWPCOQLYWBUIVFY-UHFFFAOYSA-N
MW465.34 g/mol
LogP3.60
Rot. Bonds8

About 4-[[1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide

4-[[1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide (PubChem CID 19341944) has the molecular formula C20H22Cl2N6O3 and a molecular weight of 465.34 g/mol. Its IUPAC name is 4-[[1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[[1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide
PubChem CID19341944
Molecular FormulaC20H22Cl2N6O3
Molecular Weight465.34 g/mol
Exact Mass464.11
IUPAC Name4-[[1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide
SMILESCC(C)CNC(=O)c1c(NC(=O)c2ccn(COc3c(Cl)cccc3Cl)n2)cnn1C
InChIInChI=1S/C20H22Cl2N6O3/c1-12(2)9-23-20(30)17-16(10-24-27(17)3)25-19(29)15-7-8-28(26-15)11-31-18-13(21)5-4-6-14(18)22/h4-8,10,12H,9,11H2,1-3H3,(H,23,30)(H,25,29)
InChIKeyWPCOQLYWBUIVFY-UHFFFAOYSA-N
XLogP3.60
TPSA103.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.34
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[1-[(4-chloro-3-methylphenoxy)methyl]pyrazole-3-carbonyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide
CID 17024099
1-[(2,6-dichlorophenoxy)methyl]-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide
CID 19469080
1-[(2,6-dichlorophenoxy)methyl]-N-(2,6-dichlorophenyl)pyrazole-3-carboxamide
CID 19269839
4-[[1-[(3-chlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-N-(1,5-dimethylpyrazol-4-yl)-1-methylpyrazole-5-carboxamide
CID 19276661
1-[(2,6-dichlorophenoxy)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)pyrazole-3-carboxamide
CID 19393542
1-[(2,6-dichlorophenoxy)methyl]-N-(2-fluorophenyl)pyrazole-3-carboxamide
CID 17021920
4-[[1-[(4-bromophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-methyl-N-propylpyrazole-5-carboxamide
CID 19396359
1-[(2,6-dichlorophenoxy)methyl]-N-(2-hydroxyethyl)pyrazole-3-carboxamide
CID 19269884
4-[[1-[(4-chloro-3-methylphenoxy)methyl]pyrazole-3-carbonyl]amino]-N-(1,5-dimethylpyrazol-4-yl)-1-methylpyrazole-5-carboxamide
CID 19274310
4-[(2,4-dichlorobenzoyl)amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide
CID 19342029
1-[(2,6-dichlorophenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]pyrazole-3-carboxamide
CID 19269950
4-[[1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide
CID 95747825

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide?
The IUPAC name of 4-[[1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide (CID 19341944) is 4-[[1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-[[1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-[[1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide is CC(C)CNC(=O)c1c(NC(=O)c2ccn(COc3c(Cl)cccc3Cl)n2)cnn1C.
What is the InChIKey of 4-[[1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide?
The InChIKey is WPCOQLYWBUIVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N6O3/c1-12(2)9-23-20(30)17-16(10-24-27(17)3)25-19(29)15-7-8-28(26-15)11-31-18-13(21)5-4-6-14(18)22/h4-8,10,12H,9,11H2,1-3H3,(H,23,30)(H,25,29).
What are the key properties of 4-[[1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide?
4-[[1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide has a molecular weight of 465.34 g/mol, XLogP of 3.60, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide is sourced from PubChem (CID 19341944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).