3-methoxy-1-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pyrazole-4-carboxamide

C18H23N5O4 — CID 121092010

IUPAC3-methoxy-1-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)NCC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H23N5O4/c1-22-12-15(18(21-22)26-2)17(25)19-11-16(24)20-13-3-5-14(6-4-13)23-7-9-27-10-8-23/h3-6,12H,7-11H2,1-2H3,(H,19,25)(H,20,24)
InChIKeyFVGRIOJWIWYFQR-UHFFFAOYSA-N
MW373.41 g/mol
LogP0.63
Rot. Bonds6

About 3-methoxy-1-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pyrazole-4-carboxamide

3-methoxy-1-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pyrazole-4-carboxamide (PubChem CID 121092010) has the molecular formula C18H23N5O4 and a molecular weight of 373.41 g/mol. Its IUPAC name is 3-methoxy-1-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-methoxy-1-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pyrazole-4-carboxamide
PubChem CID121092010
Molecular FormulaC18H23N5O4
Molecular Weight373.41 g/mol
Exact Mass373.18
IUPAC Name3-methoxy-1-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)NCC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H23N5O4/c1-22-12-15(18(21-22)26-2)17(25)19-11-16(24)20-13-3-5-14(6-4-13)23-7-9-27-10-8-23/h3-6,12H,7-11H2,1-2H3,(H,19,25)(H,20,24)
InChIKeyFVGRIOJWIWYFQR-UHFFFAOYSA-N
XLogP0.63
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-1-methyl-N-[4-[(4-morpholin-4-ylphenyl)carbamoyl]phenyl]pyrazole-4-carboxamide
CID 121079992
N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 121091930
2-iodo-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 35014699
3-methoxy-1-methyl-N-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]pyrazole-4-carboxamide
CID 121091994
4-tert-butyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 17475542
3-methoxy-1-methyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]pyrazole-4-carboxamide
CID 122318787
2-amino-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]acetamide
CID 61253868
3-methoxy-1-methyl-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]pyrazole-4-carboxamide
CID 122255083
3-methoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]-1-methylpyrazole-4-carboxamide
CID 121141419
2-(ethylamino)-N-(4-morpholin-4-ylphenyl)acetamide;dihydrochloride
CID 20847919
3-methoxy-1-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyrazole-4-carboxamide
CID 121091888
methyl 4-(4-morpholin-4-ylanilino)-4-oxobutanoate
CID 51985182

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pyrazole-4-carboxamide?
The IUPAC name of 3-methoxy-1-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pyrazole-4-carboxamide (CID 121092010) is 3-methoxy-1-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 3-methoxy-1-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pyrazole-4-carboxamide?
The canonical SMILES for 3-methoxy-1-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pyrazole-4-carboxamide is COc1nn(C)cc1C(=O)NCC(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 3-methoxy-1-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pyrazole-4-carboxamide?
The InChIKey is FVGRIOJWIWYFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O4/c1-22-12-15(18(21-22)26-2)17(25)19-11-16(24)20-13-3-5-14(6-4-13)23-7-9-27-10-8-23/h3-6,12H,7-11H2,1-2H3,(H,19,25)(H,20,24).
What are the key properties of 3-methoxy-1-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pyrazole-4-carboxamide?
3-methoxy-1-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pyrazole-4-carboxamide has a molecular weight of 373.41 g/mol, XLogP of 0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 121092010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).