N-(2-methoxyethyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide

C9H15N3O2 — CID 110849199

IUPACN-(2-methoxyethyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
SMILESCOCCNC(=O)c1n[nH]c(C)c1C
InChIInChI=1S/C9H15N3O2/c1-6-7(2)11-12-8(6)9(13)10-4-5-14-3/h4-5H2,1-3H3,(H,10,13)(H,11,12)
InChIKeyJMONWQXNFUMIAG-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.40
Rot. Bonds4

About N-(2-methoxyethyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide

N-(2-methoxyethyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide (PubChem CID 110849199) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
PubChem CID110849199
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC NameN-(2-methoxyethyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
SMILESCOCCNC(=O)c1n[nH]c(C)c1C
InChIInChI=1S/C9H15N3O2/c1-6-7(2)11-12-8(6)9(13)10-4-5-14-3/h4-5H2,1-3H3,(H,10,13)(H,11,12)
InChIKeyJMONWQXNFUMIAG-UHFFFAOYSA-N
XLogP0.40
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-4,5-dimethyl-1H-pyrazole-3-carboxamide
CID 126996863
4-amino-N-[2-(2-methoxyethoxy)ethyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 55034477
4,5-dibromo-N-(2-methoxyethyl)-1H-pyrazole-3-carboxamide
CID 19508610
4,5-dimethyl-N-prop-2-ynyl-1H-pyrazole-3-carboxamide
CID 130686848
4,5-dimethyl-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide
CID 110852276
2-[(4-amino-5-methyl-1H-pyrazole-3-carbonyl)amino]ethyl carbamate
CID 83202712
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4,5-dimethyl-1H-pyrazole-3-carboxamide;hydrochloride
CID 120892057
4-amino-N-(2-methoxyethyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 62075273
4-bromo-N-(2-methoxyethyl)-5-nitro-1H-pyrazole-3-carboxamide
CID 135803423
4,5-dimethyl-1H-pyrazole-3-carbothioic S-acid
CID 166818437
ethane;ethyl 4,5-dimethyl-1H-pyrazole-3-carboxylate
CID 145047369
4-amino-N-(2-hydroxyethyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 62082092

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide (CID 110849199) is N-(2-methoxyethyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide is COCCNC(=O)c1n[nH]c(C)c1C.
What is the InChIKey of N-(2-methoxyethyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide?
The InChIKey is JMONWQXNFUMIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-6-7(2)11-12-8(6)9(13)10-4-5-14-3/h4-5H2,1-3H3,(H,10,13)(H,11,12).
What are the key properties of N-(2-methoxyethyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide?
N-(2-methoxyethyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide has a molecular weight of 197.24 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 110849199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).