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

C18H18Cl2N6O3 — CID 19270063

IUPAC4-[[1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N-methylpyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)c2ccn(COc3c(Cl)cccc3Cl)n2)c(C(=O)NC)n1
InChIInChI=1S/C18H18Cl2N6O3/c1-3-25-9-14(15(24-25)18(28)21-2)22-17(27)13-7-8-26(23-13)10-29-16-11(19)5-4-6-12(16)20/h4-9H,3,10H2,1-2H3,(H,21,28)(H,22,27)
InChIKeyCKDYXGJLKKUTMS-UHFFFAOYSA-N
MW437.29 g/mol
LogP3.05
Rot. Bonds7

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

4-[[1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N-methylpyrazole-3-carboxamide (PubChem CID 19270063) has the molecular formula C18H18Cl2N6O3 and a molecular weight of 437.29 g/mol. Its IUPAC name is 4-[[1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[[1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N-methylpyrazole-3-carboxamide
PubChem CID19270063
Molecular FormulaC18H18Cl2N6O3
Molecular Weight437.29 g/mol
Exact Mass436.08
IUPAC Name4-[[1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N-methylpyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)c2ccn(COc3c(Cl)cccc3Cl)n2)c(C(=O)NC)n1
InChIInChI=1S/C18H18Cl2N6O3/c1-3-25-9-14(15(24-25)18(28)21-2)22-17(27)13-7-8-26(23-13)10-29-16-11(19)5-4-6-12(16)20/h4-9H,3,10H2,1-2H3,(H,21,28)(H,22,27)
InChIKeyCKDYXGJLKKUTMS-UHFFFAOYSA-N
XLogP3.05
TPSA103.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.29
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[1-[(4-bromo-2-chlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N-methylpyrazole-3-carboxamide
CID 19274897
4-[[1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N-methylpyrazole-3-carboxamide
CID 19275180
1-[(2,6-dichlorophenoxy)methyl]-N-(2,6-dichlorophenyl)pyrazole-3-carboxamide
CID 19269839
4-[[1-[(2,4-dichlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethylpyrazole-3-carboxamide
CID 19270269
1-[(2,6-dichlorophenoxy)methyl]-N-(2-fluorophenyl)pyrazole-3-carboxamide
CID 17021920
1-ethyl-4-[[1-[(4-methoxyphenoxy)methyl]pyrazole-3-carbonyl]amino]pyrazole-3-carboxamide
CID 19273181
4-[[1-[(4-chlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19280369
methyl 1-ethyl-4-[[1-[(4-methoxyphenoxy)methyl]pyrazole-3-carbonyl]amino]pyrazole-3-carboxylate
CID 19273262
4-[[1-[(4-chloro-2-methylphenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethylpyrazole-3-carboxamide
CID 19277803
1-[(2,6-dichlorophenoxy)methyl]-N-(2,4-difluorophenyl)pyrazole-3-carboxamide
CID 35529448
1-[(2,6-dichlorophenoxy)methyl]-N-(2-hydroxyethyl)pyrazole-3-carboxamide
CID 19269884
1-[(2,6-dichlorophenoxy)methyl]-N-(5-ethylsulfonyl-2-hydroxyphenyl)pyrazole-3-carboxamide
CID 19270106

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N-methylpyrazole-3-carboxamide?
The IUPAC name of 4-[[1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N-methylpyrazole-3-carboxamide (CID 19270063) is 4-[[1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-[[1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-[[1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N-methylpyrazole-3-carboxamide is CCn1cc(NC(=O)c2ccn(COc3c(Cl)cccc3Cl)n2)c(C(=O)NC)n1.
What is the InChIKey of 4-[[1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N-methylpyrazole-3-carboxamide?
The InChIKey is CKDYXGJLKKUTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N6O3/c1-3-25-9-14(15(24-25)18(28)21-2)22-17(27)13-7-8-26(23-13)10-29-16-11(19)5-4-6-12(16)20/h4-9H,3,10H2,1-2H3,(H,21,28)(H,22,27).
What are the key properties of 4-[[1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N-methylpyrazole-3-carboxamide?
4-[[1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N-methylpyrazole-3-carboxamide has a molecular weight of 437.29 g/mol, XLogP of 3.05, 7 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-ethyl-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 19270063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).