4-chloro-1-methyl-N-[(E)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]pyrazole-3-carboxamide

C18H20ClN5O4 — CID 6241998

IUPAC4-chloro-1-methyl-N-[(E)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]pyrazole-3-carboxamide
SMILESCn1cc(Cl)c(C(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)n1
InChIInChI=1S/C18H20ClN5O4/c1-23-11-15(19)17(22-23)18(26)21-20-10-13-2-4-14(5-3-13)28-12-16(25)24-6-8-27-9-7-24/h2-5,10-11H,6-9,12H2,1H3,(H,21,26)/b20-10+
InChIKeyYUOMVEZKVLGWFY-KEBDBYFISA-N
MW405.84 g/mol
LogP1.08
Rot. Bonds6

About 4-chloro-1-methyl-N-[(E)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]pyrazole-3-carboxamide

4-chloro-1-methyl-N-[(E)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]pyrazole-3-carboxamide (PubChem CID 6241998) has the molecular formula C18H20ClN5O4 and a molecular weight of 405.84 g/mol. Its IUPAC name is 4-chloro-1-methyl-N-[(E)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-1-methyl-N-[(E)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]pyrazole-3-carboxamide
PubChem CID6241998
Molecular FormulaC18H20ClN5O4
Molecular Weight405.84 g/mol
Exact Mass405.12
IUPAC Name4-chloro-1-methyl-N-[(E)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]pyrazole-3-carboxamide
SMILESCn1cc(Cl)c(C(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)n1
InChIInChI=1S/C18H20ClN5O4/c1-23-11-15(19)17(22-23)18(26)21-20-10-13-2-4-14(5-3-13)28-12-16(25)24-6-8-27-9-7-24/h2-5,10-11H,6-9,12H2,1H3,(H,21,26)/b20-10+
InChIKeyYUOMVEZKVLGWFY-KEBDBYFISA-N
XLogP1.08
TPSA98.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.84
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]-1-methylpyrazole-3-carboxamide
CID 1222812
2-(4-methoxyphenyl)-N-[(E)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]acetamide
CID 126227474
2-chloro-N-[3-methyl-1-[2-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]hydrazinyl]-1-oxobutan-2-yl]benzamide
CID 5018350
N-[(Z)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-(2,3,5-trichlorophenoxy)acetamide
CID 126027677
N-[(E)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-(4-phenylphenoxy)acetamide
CID 126027835
1-morpholin-4-yl-2-[4-[(E)-(phenylhydrazinylidene)methyl]phenoxy]ethanone
CID 126022835
(2R)-2-methoxy-N-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-phenylacetamide
CID 1104562
2-(4-chlorophenoxy)-N-[(Z)-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]acetamide
CID 51641793
2-[4-[(3-chloro-2-methylphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone
CID 126253048
2-[(3-bromophenyl)methylsulfanyl]-N-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]acetamide
CID 73406075
4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]benzamide
CID 126126887
N-[(Z)-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]pyridine-4-carboxamide
CID 126171061

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-N-[(E)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-1-methyl-N-[(E)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]pyrazole-3-carboxamide (CID 6241998) is 4-chloro-1-methyl-N-[(E)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-1-methyl-N-[(E)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-1-methyl-N-[(E)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]pyrazole-3-carboxamide is Cn1cc(Cl)c(C(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)n1.
What is the InChIKey of 4-chloro-1-methyl-N-[(E)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]pyrazole-3-carboxamide?
The InChIKey is YUOMVEZKVLGWFY-KEBDBYFISA-N. The full InChI is InChI=1S/C18H20ClN5O4/c1-23-11-15(19)17(22-23)18(26)21-20-10-13-2-4-14(5-3-13)28-12-16(25)24-6-8-27-9-7-24/h2-5,10-11H,6-9,12H2,1H3,(H,21,26)/b20-10+.
What are the key properties of 4-chloro-1-methyl-N-[(E)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]pyrazole-3-carboxamide?
4-chloro-1-methyl-N-[(E)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]pyrazole-3-carboxamide has a molecular weight of 405.84 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-N-[(E)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]pyrazole-3-carboxamide is sourced from PubChem (CID 6241998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).