N-(2-methoxyethyl)-1-(methoxymethyl)pyrazole-3-carboxamide

C9H15N3O3 — CID 19270943

IUPACN-(2-methoxyethyl)-1-(methoxymethyl)pyrazole-3-carboxamide
SMILESCOCCNC(=O)c1ccn(COC)n1
InChIInChI=1S/C9H15N3O3/c1-14-6-4-10-9(13)8-3-5-12(11-8)7-15-2/h3,5H,4,6-7H2,1-2H3,(H,10,13)
InChIKeyXQHGPXYJUIWYQL-UHFFFAOYSA-N
MW213.24 g/mol
LogP-0.14
Rot. Bonds6

About N-(2-methoxyethyl)-1-(methoxymethyl)pyrazole-3-carboxamide

N-(2-methoxyethyl)-1-(methoxymethyl)pyrazole-3-carboxamide (PubChem CID 19270943) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-(methoxymethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-(methoxymethyl)pyrazole-3-carboxamide
PubChem CID19270943
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC NameN-(2-methoxyethyl)-1-(methoxymethyl)pyrazole-3-carboxamide
SMILESCOCCNC(=O)c1ccn(COC)n1
InChIInChI=1S/C9H15N3O3/c1-14-6-4-10-9(13)8-3-5-12(11-8)7-15-2/h3,5H,4,6-7H2,1-2H3,(H,10,13)
InChIKeyXQHGPXYJUIWYQL-UHFFFAOYSA-N
XLogP-0.14
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(methoxymethyl)-N-prop-2-enylpyrazole-3-carboxamide
CID 19270743
1-(methoxymethyl)-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
CID 19270984
N-[3-(4-chloropyrazol-1-yl)propyl]-1-(methoxymethyl)pyrazole-3-carboxamide
CID 19270945
N-(3-methoxypropyl)-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide
CID 19276079
1-[(3-chlorophenoxy)methyl]-N-(3-methoxypropyl)pyrazole-3-carboxamide
CID 19276667
1-ethyl-N-(2-hydroxyethyl)pyrazole-3-carboxamide
CID 19262208
1-[(2-chloro-4-nitrophenoxy)methyl]-N-(2-methoxyethyl)pyrazole-3-carboxamide
CID 19272652
1-(methoxymethyl)-N-(4-phenylphenyl)pyrazole-3-carboxamide
CID 19270816
N-(3-aminopropyl)-1-ethylpyrazole-3-carboxamide
CID 19621049
N-(3-methoxypropyl)-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
CID 19265646
N-[2-(diethylamino)ethyl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide
CID 19273294
1-ethyl-N-[1-(methoxymethyl)pyrazol-4-yl]pyrazole-3-carboxamide
CID 19262380

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-(methoxymethyl)pyrazole-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-1-(methoxymethyl)pyrazole-3-carboxamide (CID 19270943) is N-(2-methoxyethyl)-1-(methoxymethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-1-(methoxymethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-1-(methoxymethyl)pyrazole-3-carboxamide is COCCNC(=O)c1ccn(COC)n1.
What is the InChIKey of N-(2-methoxyethyl)-1-(methoxymethyl)pyrazole-3-carboxamide?
The InChIKey is XQHGPXYJUIWYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-14-6-4-10-9(13)8-3-5-12(11-8)7-15-2/h3,5H,4,6-7H2,1-2H3,(H,10,13).
What are the key properties of N-(2-methoxyethyl)-1-(methoxymethyl)pyrazole-3-carboxamide?
N-(2-methoxyethyl)-1-(methoxymethyl)pyrazole-3-carboxamide has a molecular weight of 213.24 g/mol, XLogP of -0.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-(methoxymethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19270943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).