4-chloro-N-[[4-(4-chlorophenoxy)phenyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide

C20H19Cl2N3O2 — CID 15008455

IUPAC4-chloro-N-[[4-(4-chlorophenoxy)phenyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)NCc2ccc(Oc3ccc(Cl)cc3)cc2)c1Cl
InChIInChI=1S/C20H19Cl2N3O2/c1-3-17-18(22)19(25(2)24-17)20(26)23-12-13-4-8-15(9-5-13)27-16-10-6-14(21)7-11-16/h4-11H,3,12H2,1-2H3,(H,23,26)
InChIKeyZCJYNFNJUQPDSI-UHFFFAOYSA-N
MW404.30 g/mol
LogP5.01
Rot. Bonds6

About 4-chloro-N-[[4-(4-chlorophenoxy)phenyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide

4-chloro-N-[[4-(4-chlorophenoxy)phenyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide (PubChem CID 15008455) has the molecular formula C20H19Cl2N3O2 and a molecular weight of 404.30 g/mol. Its IUPAC name is 4-chloro-N-[[4-(4-chlorophenoxy)phenyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[[4-(4-chlorophenoxy)phenyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide
PubChem CID15008455
Molecular FormulaC20H19Cl2N3O2
Molecular Weight404.30 g/mol
Exact Mass403.09
IUPAC Name4-chloro-N-[[4-(4-chlorophenoxy)phenyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)NCc2ccc(Oc3ccc(Cl)cc3)cc2)c1Cl
InChIInChI=1S/C20H19Cl2N3O2/c1-3-17-18(22)19(25(2)24-17)20(26)23-12-13-4-8-15(9-5-13)27-16-10-6-14(21)7-11-16/h4-11H,3,12H2,1-2H3,(H,23,26)
InChIKeyZCJYNFNJUQPDSI-UHFFFAOYSA-N
XLogP5.01
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.30
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Tolfenpyrad
CID 10110536
4-chloro-N-[[4-(4-chlorophenoxy)phenyl]methyl]-1,3-dimethylpyrazole-5-carboxamide
CID 162670337
4-chloro-N-[[4-(4-chlorophenoxy)phenyl]methyl]-1-methylpyrazole-5-carboxamide
CID 162673561
4-chloro-N-[[4-[(6-chloro-3-pyridinyl)oxy]phenyl]methyl]-1,3-dimethylpyrazole-5-carboxamide
CID 162677266
N-(4-methoxybenzyl)-3-methyl-1-phenyl-1H-pyrazole-5-carboxamide
CID 5015296
4-chloro-N-[(E)-1-[3-[[2-(4-chlorophenoxy)acetyl]amino]phenyl]ethylideneamino]-2,5-dimethylpyrazole-3-carboxamide
CID 5434402
1-[[5-Chloro-2-(2-methylpropoxy)phenyl]methyl]-5-methylpyrazole-3-carboxamide
CID 44448446
N-benzyl-1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-5-methylpyrazole-3-carboxamide
CID 44448521
1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-(4-fluorophenyl)-5-methylpyrazole-3-carboxamide
CID 44448560
1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-(2,6-difluorophenyl)-5-methylpyrazole-3-carboxamide
CID 44448561
1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-(3-fluorophenyl)-5-methylpyrazole-3-carboxamide
CID 44448562
1-({5-Chloro-2-[(phenylmethyl)oxy]phenyl}methyl)-5-methyl-N-(1-methylethyl)-1H-pyrazole-3-carboxamide
CID 44448597

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[4-(4-chlorophenoxy)phenyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-[[4-(4-chlorophenoxy)phenyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide (CID 15008455) is 4-chloro-N-[[4-(4-chlorophenoxy)phenyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-[[4-(4-chlorophenoxy)phenyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-[[4-(4-chlorophenoxy)phenyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide is CCc1nn(C)c(C(=O)NCc2ccc(Oc3ccc(Cl)cc3)cc2)c1Cl.
What is the InChIKey of 4-chloro-N-[[4-(4-chlorophenoxy)phenyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide?
The InChIKey is ZCJYNFNJUQPDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N3O2/c1-3-17-18(22)19(25(2)24-17)20(26)23-12-13-4-8-15(9-5-13)27-16-10-6-14(21)7-11-16/h4-11H,3,12H2,1-2H3,(H,23,26).
What are the key properties of 4-chloro-N-[[4-(4-chlorophenoxy)phenyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide?
4-chloro-N-[[4-(4-chlorophenoxy)phenyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide has a molecular weight of 404.30 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[4-(4-chlorophenoxy)phenyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 15008455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).