4-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,1-dimethylpyrazole-3-carboxamide

C12H21N5O3 — CID 65354607

IUPAC4-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,1-dimethylpyrazole-3-carboxamide
SMILESCOCCCNC(=O)CN(C)C(=O)c1nn(C)cc1N
InChIInChI=1S/C12H21N5O3/c1-16(8-10(18)14-5-4-6-20-3)12(19)11-9(13)7-17(2)15-11/h7H,4-6,8,13H2,1-3H3,(H,14,18)
InChIKeyKMNFMTWAYNXLLC-UHFFFAOYSA-N
MW283.33 g/mol
LogP-0.77
Rot. Bonds7

About 4-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,1-dimethylpyrazole-3-carboxamide

4-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,1-dimethylpyrazole-3-carboxamide (PubChem CID 65354607) has the molecular formula C12H21N5O3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,1-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,1-dimethylpyrazole-3-carboxamide
PubChem CID65354607
Molecular FormulaC12H21N5O3
Molecular Weight283.33 g/mol
Exact Mass283.16
IUPAC Name4-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,1-dimethylpyrazole-3-carboxamide
SMILESCOCCCNC(=O)CN(C)C(=O)c1nn(C)cc1N
InChIInChI=1S/C12H21N5O3/c1-16(8-10(18)14-5-4-6-20-3)12(19)11-9(13)7-17(2)15-11/h7H,4-6,8,13H2,1-3H3,(H,14,18)
InChIKeyKMNFMTWAYNXLLC-UHFFFAOYSA-N
XLogP-0.77
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 5-0.77
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

3-methoxy-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,1-dimethylpyrazole-4-carboxamide
CID 121092078
3-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpyridine-2-carboxamide
CID 104741760
4-bromo-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,1-dimethylpyrrole-2-carboxamide
CID 60956041
4-(aminomethyl)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
CID 60953453
N-(3-methoxypropyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
CID 51183315
4-amino-N-hexyl-1-methylpyrazole-3-carboxamide
CID 65354108
4-(dimethylamino)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
CID 51098419
N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-2-(methylamino)acetamide
CID 60954160
4-amino-1-methyl-N-(3-methylsulfanylpropyl)pyrazole-3-carboxamide
CID 65355442
2-amino-N-[2-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]acetamide
CID 54874049
4-amino-N-(2-ethoxyethyl)-1-methylpyrazole-3-carboxamide
CID 65354874
2-chloro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
CID 51307796

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,1-dimethylpyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,1-dimethylpyrazole-3-carboxamide (CID 65354607) is 4-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,1-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,1-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,1-dimethylpyrazole-3-carboxamide is COCCCNC(=O)CN(C)C(=O)c1nn(C)cc1N.
What is the InChIKey of 4-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,1-dimethylpyrazole-3-carboxamide?
The InChIKey is KMNFMTWAYNXLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O3/c1-16(8-10(18)14-5-4-6-20-3)12(19)11-9(13)7-17(2)15-11/h7H,4-6,8,13H2,1-3H3,(H,14,18).
What are the key properties of 4-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,1-dimethylpyrazole-3-carboxamide?
4-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,1-dimethylpyrazole-3-carboxamide has a molecular weight of 283.33 g/mol, XLogP of -0.77, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,1-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 65354607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).