3-methoxy-1-methyl-N-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]pyrazole-4-carboxamide

C14H24N4O4 — CID 121091838

IUPAC3-methoxy-1-methyl-N-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]pyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)NCC(=O)NCCCOC(C)C
InChIInChI=1S/C14H24N4O4/c1-10(2)22-7-5-6-15-12(19)8-16-13(20)11-9-18(3)17-14(11)21-4/h9-10H,5-8H2,1-4H3,(H,15,19)(H,16,20)
InChIKeyLZDJGWBFHIDVPF-UHFFFAOYSA-N
MW312.37 g/mol
LogP0.09
Rot. Bonds9

About 3-methoxy-1-methyl-N-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]pyrazole-4-carboxamide

3-methoxy-1-methyl-N-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]pyrazole-4-carboxamide (PubChem CID 121091838) has the molecular formula C14H24N4O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-methoxy-1-methyl-N-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-methoxy-1-methyl-N-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]pyrazole-4-carboxamide
PubChem CID121091838
Molecular FormulaC14H24N4O4
Molecular Weight312.37 g/mol
Exact Mass312.18
IUPAC Name3-methoxy-1-methyl-N-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]pyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)NCC(=O)NCCCOC(C)C
InChIInChI=1S/C14H24N4O4/c1-10(2)22-7-5-6-15-12(19)8-16-13(20)11-9-18(3)17-14(11)21-4/h9-10H,5-8H2,1-4H3,(H,15,19)(H,16,20)
InChIKeyLZDJGWBFHIDVPF-UHFFFAOYSA-N
XLogP0.09
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]benzamide
CID 40628904
3-methoxy-1-methyl-N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]pyrazole-4-carboxamide
CID 56764415
3-methoxy-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,1-dimethylpyrazole-4-carboxamide
CID 121092078
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 121091971
3-methoxy-1-methyl-N-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]pyrazole-4-carboxamide
CID 121091994
3-methoxy-1-methyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]pyrazole-4-carboxamide
CID 121091955
3-fluoro-N-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]benzamide
CID 78785991
N-[2-(2,3-dichloroanilino)-2-oxoethyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 121091914
3-methoxy-1-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyrazole-4-carboxamide
CID 121091888
N-[2-(2-cyanoanilino)-2-oxoethyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 121091901
N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 121091930
N-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 121091965

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-methyl-N-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]pyrazole-4-carboxamide?
The IUPAC name of 3-methoxy-1-methyl-N-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]pyrazole-4-carboxamide (CID 121091838) is 3-methoxy-1-methyl-N-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 3-methoxy-1-methyl-N-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 3-methoxy-1-methyl-N-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]pyrazole-4-carboxamide is COc1nn(C)cc1C(=O)NCC(=O)NCCCOC(C)C.
What is the InChIKey of 3-methoxy-1-methyl-N-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]pyrazole-4-carboxamide?
The InChIKey is LZDJGWBFHIDVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O4/c1-10(2)22-7-5-6-15-12(19)8-16-13(20)11-9-18(3)17-14(11)21-4/h9-10H,5-8H2,1-4H3,(H,15,19)(H,16,20).
What are the key properties of 3-methoxy-1-methyl-N-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]pyrazole-4-carboxamide?
3-methoxy-1-methyl-N-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]pyrazole-4-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 0.09, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-methyl-N-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 121091838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).