4-amino-N-[2-(2-methoxyethoxy)ethyl]-5-methyl-1H-pyrazole-3-carboxamide

C10H18N4O3 — CID 55034477

IUPAC4-amino-N-[2-(2-methoxyethoxy)ethyl]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCOCCOCCNC(=O)c1n[nH]c(C)c1N
InChIInChI=1S/C10H18N4O3/c1-7-8(11)9(14-13-7)10(15)12-3-4-17-6-5-16-2/h3-6,11H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyQQPODSYGJRSXGI-UHFFFAOYSA-N
MW242.28 g/mol
LogP-0.31
Rot. Bonds7

About 4-amino-N-[2-(2-methoxyethoxy)ethyl]-5-methyl-1H-pyrazole-3-carboxamide

4-amino-N-[2-(2-methoxyethoxy)ethyl]-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 55034477) has the molecular formula C10H18N4O3 and a molecular weight of 242.28 g/mol. Its IUPAC name is 4-amino-N-[2-(2-methoxyethoxy)ethyl]-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(2-methoxyethoxy)ethyl]-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID55034477
Molecular FormulaC10H18N4O3
Molecular Weight242.28 g/mol
Exact Mass242.14
IUPAC Name4-amino-N-[2-(2-methoxyethoxy)ethyl]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCOCCOCCNC(=O)c1n[nH]c(C)c1N
InChIInChI=1S/C10H18N4O3/c1-7-8(11)9(14-13-7)10(15)12-3-4-17-6-5-16-2/h3-6,11H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyQQPODSYGJRSXGI-UHFFFAOYSA-N
XLogP-0.31
TPSA102.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-amino-5-methyl-1H-pyrazole-3-carbonyl)amino]ethyl carbamate
CID 83202712
4-amino-N-[2-(2-methoxyethoxy)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 55033876
4-amino-N-(2-hydroxyethyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 62082092
4-amino-5-methyl-N-(2-methylsulfonylethyl)-1H-pyrazole-3-carboxamide
CID 62082279
N-(2-methoxyethyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
CID 110849199
3,6-diamino-2-N,5-N-bis[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrazine-2,5-dicarboxamide
CID 70688451
4-amino-5-methyl-N-(3-phenoxypropyl)-1H-pyrazole-3-carboxamide
CID 62379290
4-amino-5-methyl-N-(4-methylpentyl)-1H-pyrazole-3-carboxamide
CID 62083375
4-amino-N-[3-(dimethylamino)-3-oxopropyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 55034138
4-amino-N-(2-methoxyethyl)-5-methyl-N-propan-2-yl-1H-pyrazole-3-carboxamide
CID 82949294
4-amino-N-(2-methoxyethyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 62075273
4-amino-N-(2,2-dimethylpropyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 62080909

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(2-methoxyethoxy)ethyl]-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-[2-(2-methoxyethoxy)ethyl]-5-methyl-1H-pyrazole-3-carboxamide (CID 55034477) is 4-amino-N-[2-(2-methoxyethoxy)ethyl]-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(2-methoxyethoxy)ethyl]-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[2-(2-methoxyethoxy)ethyl]-5-methyl-1H-pyrazole-3-carboxamide is COCCOCCNC(=O)c1n[nH]c(C)c1N.
What is the InChIKey of 4-amino-N-[2-(2-methoxyethoxy)ethyl]-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is QQPODSYGJRSXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3/c1-7-8(11)9(14-13-7)10(15)12-3-4-17-6-5-16-2/h3-6,11H2,1-2H3,(H,12,15)(H,13,14).
What are the key properties of 4-amino-N-[2-(2-methoxyethoxy)ethyl]-5-methyl-1H-pyrazole-3-carboxamide?
4-amino-N-[2-(2-methoxyethoxy)ethyl]-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 242.28 g/mol, XLogP of -0.31, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(2-methoxyethoxy)ethyl]-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 55034477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).