N-(2-methoxyethyl)-1,3-dimethylpyrazole-4-carboxamide

C9H15N3O2 — CID 19474960

IUPACN-(2-methoxyethyl)-1,3-dimethylpyrazole-4-carboxamide
SMILESCOCCNC(=O)c1cn(C)nc1C
InChIInChI=1S/C9H15N3O2/c1-7-8(6-12(2)11-7)9(13)10-4-5-14-3/h6H,4-5H2,1-3H3,(H,10,13)
InChIKeyYRZWFXBTMVUCCW-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.10
Rot. Bonds4

About N-(2-methoxyethyl)-1,3-dimethylpyrazole-4-carboxamide

N-(2-methoxyethyl)-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 19474960) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1,3-dimethylpyrazole-4-carboxamide
PubChem CID19474960
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC NameN-(2-methoxyethyl)-1,3-dimethylpyrazole-4-carboxamide
SMILESCOCCNC(=O)c1cn(C)nc1C
InChIInChI=1S/C9H15N3O2/c1-7-8(6-12(2)11-7)9(13)10-4-5-14-3/h6H,4-5H2,1-3H3,(H,10,13)
InChIKeyYRZWFXBTMVUCCW-UHFFFAOYSA-N
XLogP0.10
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethoxy)-1,3-dimethylpyrazole-4-carboxamide
CID 103728119
N-[3-(2-chloroethoxy)propyl]-1,3-dimethylpyrazole-4-carboxamide
CID 106306554
N-(4-chlorobutyl)-1,3-dimethylpyrazole-4-carboxamide
CID 106845570
N-(5-aminopentyl)-1,3-dimethylpyrazole-4-carboxamide
CID 102801078
5-[(1,3-dimethylpyrazole-4-carbonyl)amino]pentanoic acid
CID 103790923
N-(2-tert-butylsulfanylethyl)-1,3-dimethylpyrazole-4-carboxamide
CID 74237119
N-(2-azidoethyl)-1,3-dimethylpyrazole-4-carboxamide
CID 102802240
methyl 1,3-dimethylpyrazole-4-carboxylate
CID 12654287
1-(1,3-dimethylpyrazol-4-yl)-5-methoxypentane-1,3-dione
CID 65197098
N-[2-(2-fluorophenyl)ethyl]-1,3-dimethylpyrazole-4-carboxamide
CID 110852445
CID 91064123
CID 91064123
(2S)-3-[(1,3-dimethylpyrazole-4-carbonyl)amino]-2-hydroxypropanoic acid
CID 107833607

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-1,3-dimethylpyrazole-4-carboxamide (CID 19474960) is N-(2-methoxyethyl)-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-1,3-dimethylpyrazole-4-carboxamide is COCCNC(=O)c1cn(C)nc1C.
What is the InChIKey of N-(2-methoxyethyl)-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is YRZWFXBTMVUCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-7-8(6-12(2)11-7)9(13)10-4-5-14-3/h6H,4-5H2,1-3H3,(H,10,13).
What are the key properties of N-(2-methoxyethyl)-1,3-dimethylpyrazole-4-carboxamide?
N-(2-methoxyethyl)-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 197.24 g/mol, XLogP of 0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 19474960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).