1-ethyl-4-[[1-[(4-methoxyphenoxy)methyl]pyrazole-3-carbonyl]amino]pyrazole-3-carboxamide

C18H20N6O4 — CID 19273181

IUPAC1-ethyl-4-[[1-[(4-methoxyphenoxy)methyl]pyrazole-3-carbonyl]amino]pyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)c2ccn(COc3ccc(OC)cc3)n2)c(C(N)=O)n1
InChIInChI=1S/C18H20N6O4/c1-3-23-10-15(16(22-23)17(19)25)20-18(26)14-8-9-24(21-14)11-28-13-6-4-12(27-2)5-7-13/h4-10H,3,11H2,1-2H3,(H2,19,25)(H,20,26)
InChIKeyLKYBLHINASEODM-UHFFFAOYSA-N
MW384.40 g/mol
LogP1.50
Rot. Bonds8

About 1-ethyl-4-[[1-[(4-methoxyphenoxy)methyl]pyrazole-3-carbonyl]amino]pyrazole-3-carboxamide

1-ethyl-4-[[1-[(4-methoxyphenoxy)methyl]pyrazole-3-carbonyl]amino]pyrazole-3-carboxamide (PubChem CID 19273181) has the molecular formula C18H20N6O4 and a molecular weight of 384.40 g/mol. Its IUPAC name is 1-ethyl-4-[[1-[(4-methoxyphenoxy)methyl]pyrazole-3-carbonyl]amino]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-4-[[1-[(4-methoxyphenoxy)methyl]pyrazole-3-carbonyl]amino]pyrazole-3-carboxamide
PubChem CID19273181
Molecular FormulaC18H20N6O4
Molecular Weight384.40 g/mol
Exact Mass384.15
IUPAC Name1-ethyl-4-[[1-[(4-methoxyphenoxy)methyl]pyrazole-3-carbonyl]amino]pyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)c2ccn(COc3ccc(OC)cc3)n2)c(C(N)=O)n1
InChIInChI=1S/C18H20N6O4/c1-3-23-10-15(16(22-23)17(19)25)20-18(26)14-8-9-24(21-14)11-28-13-6-4-12(27-2)5-7-13/h4-10H,3,11H2,1-2H3,(H2,19,25)(H,20,26)
InChIKeyLKYBLHINASEODM-UHFFFAOYSA-N
XLogP1.50
TPSA126.29 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 1-ethyl-4-[[1-[(4-methoxyphenoxy)methyl]pyrazole-3-carbonyl]amino]pyrazole-3-carboxylate
CID 19273262
methyl 1-ethyl-4-[[1-[(4-fluorophenoxy)methyl]pyrazole-3-carbonyl]amino]pyrazole-3-carboxylate
CID 19269450
4-[[1-[(2,4-dichlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethylpyrazole-3-carboxamide
CID 19270269
4-[[1-[(4-chloro-2-methylphenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethylpyrazole-3-carboxamide
CID 19277803
4-[[1-[(4-tert-butylphenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide
CID 19400129
4-[[1-[(4-chlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19280369
1-ethyl-N-(2-methylpropyl)-4-[[1-[(4-phenylphenoxy)methyl]pyrazole-3-carbonyl]amino]pyrazole-3-carboxamide
CID 19273568
propan-2-yl 1-ethyl-4-[[1-[(4-phenylphenoxy)methyl]pyrazole-3-carbonyl]amino]pyrazole-3-carboxylate
CID 19404561
4-[[1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N-methylpyrazole-3-carboxamide
CID 19270063
4-[[1-[(4-bromopyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-1-ethylpyrazole-3-carboxamide
CID 19271796
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

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[[1-[(4-methoxyphenoxy)methyl]pyrazole-3-carbonyl]amino]pyrazole-3-carboxamide?
The IUPAC name of 1-ethyl-4-[[1-[(4-methoxyphenoxy)methyl]pyrazole-3-carbonyl]amino]pyrazole-3-carboxamide (CID 19273181) is 1-ethyl-4-[[1-[(4-methoxyphenoxy)methyl]pyrazole-3-carbonyl]amino]pyrazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-4-[[1-[(4-methoxyphenoxy)methyl]pyrazole-3-carbonyl]amino]pyrazole-3-carboxamide?
The canonical SMILES for 1-ethyl-4-[[1-[(4-methoxyphenoxy)methyl]pyrazole-3-carbonyl]amino]pyrazole-3-carboxamide is CCn1cc(NC(=O)c2ccn(COc3ccc(OC)cc3)n2)c(C(N)=O)n1.
What is the InChIKey of 1-ethyl-4-[[1-[(4-methoxyphenoxy)methyl]pyrazole-3-carbonyl]amino]pyrazole-3-carboxamide?
The InChIKey is LKYBLHINASEODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O4/c1-3-23-10-15(16(22-23)17(19)25)20-18(26)14-8-9-24(21-14)11-28-13-6-4-12(27-2)5-7-13/h4-10H,3,11H2,1-2H3,(H2,19,25)(H,20,26).
What are the key properties of 1-ethyl-4-[[1-[(4-methoxyphenoxy)methyl]pyrazole-3-carbonyl]amino]pyrazole-3-carboxamide?
1-ethyl-4-[[1-[(4-methoxyphenoxy)methyl]pyrazole-3-carbonyl]amino]pyrazole-3-carboxamide has a molecular weight of 384.40 g/mol, XLogP of 1.50, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[[1-[(4-methoxyphenoxy)methyl]pyrazole-3-carbonyl]amino]pyrazole-3-carboxamide is sourced from PubChem (CID 19273181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).