N-[2-(2-methoxyethylamino)ethyl]-1-methylpyrazole-4-carboxamide

C10H18N4O2 — CID 82993556

IUPACN-[2-(2-methoxyethylamino)ethyl]-1-methylpyrazole-4-carboxamide
SMILESCOCCNCCNC(=O)c1cnn(C)c1
InChIInChI=1S/C10H18N4O2/c1-14-8-9(7-13-14)10(15)12-4-3-11-5-6-16-2/h7-8,11H,3-6H2,1-2H3,(H,12,15)
InChIKeyKMPYOQSELFELGX-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.61
Rot. Bonds7

About N-[2-(2-methoxyethylamino)ethyl]-1-methylpyrazole-4-carboxamide

N-[2-(2-methoxyethylamino)ethyl]-1-methylpyrazole-4-carboxamide (PubChem CID 82993556) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is N-[2-(2-methoxyethylamino)ethyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethylamino)ethyl]-1-methylpyrazole-4-carboxamide
PubChem CID82993556
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC NameN-[2-(2-methoxyethylamino)ethyl]-1-methylpyrazole-4-carboxamide
SMILESCOCCNCCNC(=O)c1cnn(C)c1
InChIInChI=1S/C10H18N4O2/c1-14-8-9(7-13-14)10(15)12-4-3-11-5-6-16-2/h7-8,11H,3-6H2,1-2H3,(H,12,15)
InChIKeyKMPYOQSELFELGX-UHFFFAOYSA-N
XLogP-0.61
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxyethyl)-1H-pyrazole-4-carbaldehyde
CID 23033398
1-(2-hydroxyethyl)-1H-pyrazole-4-carboxamide
CID 122164183
N,1-diethyl-N-[3-(4-morpholinyl)propyl]-1H-pyrazole-4-carboxamide trifluoroacetate
CID 28392279
(1-Ethylpyrazol-4-yl)-morpholin-4-ylmethanone
CID 35762493
N-(2-acetamidoethyl)-2-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]acetamide
CID 53582922
(2S)-2-methyl-1-(1-methyl-1H-pyrazole-4-carbonyl)piperazine dihydrochloride
CID 170913622
N-{(3S,4R)-4-[(dimethylamino)methyl]-1-methyltetrahydro-1H-pyrrol-3-yl}-1-methyl-1H-pyrazole-4-carboxamide
CID 91922802
5-(1-Ethylpyrazole-4-carbonyl)-1,5-diazacycloundecan-2-one
CID 110201427
3-(4-bromo-1H-pyrazol-1-yl)-N-(2-methoxyethyl)-2-methylpropanamide
CID 19584321
Diethyl 2-[(1-methylpyrazole-4-carbonyl)amino]propanedioate
CID 33247932
ethyl N-[3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-oxopropyl]carbamate
CID 38482795
N-[1-(3-amino-3-oxopropyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 47220435

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethylamino)ethyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(2-methoxyethylamino)ethyl]-1-methylpyrazole-4-carboxamide (CID 82993556) is N-[2-(2-methoxyethylamino)ethyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyethylamino)ethyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(2-methoxyethylamino)ethyl]-1-methylpyrazole-4-carboxamide is COCCNCCNC(=O)c1cnn(C)c1.
What is the InChIKey of N-[2-(2-methoxyethylamino)ethyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is KMPYOQSELFELGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-14-8-9(7-13-14)10(15)12-4-3-11-5-6-16-2/h7-8,11H,3-6H2,1-2H3,(H,12,15).
What are the key properties of N-[2-(2-methoxyethylamino)ethyl]-1-methylpyrazole-4-carboxamide?
N-[2-(2-methoxyethylamino)ethyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 226.28 g/mol, XLogP of -0.61, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethylamino)ethyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 82993556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).