5-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-1-methylpyrazole-4-carboxamide

C9H15N5O3 — CID 104592175

IUPAC5-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-1-methylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NCCOCC(N)=O)c1N
InChIInChI=1S/C9H15N5O3/c1-14-8(11)6(4-13-14)9(16)12-2-3-17-5-7(10)15/h4H,2-3,5,11H2,1H3,(H2,10,15)(H,12,16)
InChIKeyZPUSIBJEOTYALA-UHFFFAOYSA-N
MW241.25 g/mol
LogP-1.77
Rot. Bonds6

About 5-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-1-methylpyrazole-4-carboxamide

5-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-1-methylpyrazole-4-carboxamide (PubChem CID 104592175) has the molecular formula C9H15N5O3 and a molecular weight of 241.25 g/mol. Its IUPAC name is 5-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-1-methylpyrazole-4-carboxamide
PubChem CID104592175
Molecular FormulaC9H15N5O3
Molecular Weight241.25 g/mol
Exact Mass241.12
IUPAC Name5-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-1-methylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NCCOCC(N)=O)c1N
InChIInChI=1S/C9H15N5O3/c1-14-8(11)6(4-13-14)9(16)12-2-3-17-5-7(10)15/h4H,2-3,5,11H2,1H3,(H2,10,15)(H,12,16)
InChIKeyZPUSIBJEOTYALA-UHFFFAOYSA-N
XLogP-1.77
TPSA125.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-1.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-[2-(2-methoxyethoxy)ethyl]-1-methylpyrazole-4-carboxamide
CID 115330672
5-amino-N-(3-amino-3-oxopropyl)-1-methylpyrazole-4-carboxamide
CID 115330437
5-amino-N-(3-methoxypropyl)-1-methylpyrazole-4-carboxamide
CID 82547322
5-amino-N-butyl-1-methylpyrazole-4-carboxamide
CID 80503275
5-amino-N-[4-(2-methoxyethoxy)butyl]-1-methylpyrazole-4-carboxamide
CID 104587708
5-amino-1-methyl-N-[3-(2-methylpropoxy)propyl]pyrazole-4-carboxamide
CID 113355603
5-amino-N-[2-(4-methoxyphenoxy)ethyl]-1-methylpyrazole-4-carboxamide
CID 82545915
5-amino-N-[2-(diethylamino)ethyl]-1-methylpyrazole-4-carboxamide
CID 82546931
2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-4,5-dimethoxybenzamide
CID 106233325
5-amino-1-methyl-N-(3-methylsulfonylpropyl)pyrazole-4-carboxamide
CID 115330667
5-amino-N-(2-bromoprop-2-enyl)-1-methylpyrazole-4-carboxamide
CID 104586972
5-amino-N-(2,2-dimethoxyethyl)-1-methylpyrazole-4-carboxamide
CID 110485264

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-1-methylpyrazole-4-carboxamide (CID 104592175) is 5-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-1-methylpyrazole-4-carboxamide is Cn1ncc(C(=O)NCCOCC(N)=O)c1N.
What is the InChIKey of 5-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is ZPUSIBJEOTYALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O3/c1-14-8(11)6(4-13-14)9(16)12-2-3-17-5-7(10)15/h4H,2-3,5,11H2,1H3,(H2,10,15)(H,12,16).
What are the key properties of 5-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-1-methylpyrazole-4-carboxamide?
5-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 241.25 g/mol, XLogP of -1.77, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 104592175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).