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

C11H19N3O2 — CID 61447670

IUPACN-ethyl-N-(2-methoxyethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCCN(CCOC)C(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C11H19N3O2/c1-5-14(6-7-16-4)11(15)10-8(2)12-13-9(10)3/h5-7H2,1-4H3,(H,12,13)
InChIKeyTXTOCBPCNAAULK-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.14
Rot. Bonds5

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

N-ethyl-N-(2-methoxyethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide (PubChem CID 61447670) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-ethyl-N-(2-methoxyethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-methoxyethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
PubChem CID61447670
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC NameN-ethyl-N-(2-methoxyethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCCN(CCOC)C(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C11H19N3O2/c1-5-14(6-7-16-4)11(15)10-8(2)12-13-9(10)3/h5-7H2,1-4H3,(H,12,13)
InChIKeyTXTOCBPCNAAULK-UHFFFAOYSA-N
XLogP1.14
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyethyl)-3,5-dimethyl-N-prop-2-enyl-1H-pyrazole-4-carboxamide
CID 103339974
N-ethyl-N-(2-methoxyethyl)-2H-triazole-4-carboxamide
CID 112733352
3,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-N-propyl-1H-pyrazole-4-carboxamide
CID 54915827
3,5-dimethyl-N-propyl-1H-pyrazole-4-carboxamide
CID 43582292
3,5-dimethyl-N-(2-methylbutyl)-1H-pyrazole-4-carboxamide
CID 62691865
N-[3-[ethyl(methylsulfonyl)amino]propyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 61013814
N-(3-amino-2,2-dimethylpropyl)-3,5-dimethyl-N-propyl-1H-pyrazole-4-carboxamide
CID 79667677
methyl 3,5-dimethyl-1H-pyrazole-4-carboxylate
CID 2753080
N-(2,2-diethoxyethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 79547804
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)acetamide
CID 74234591
N-[2-[butan-2-yl(methyl)amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 113232975
N-ethyl-3,5-dimethyl-N-phenyl-1H-pyrazole-4-carboxamide
CID 43582677

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-methoxyethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-ethyl-N-(2-methoxyethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide (CID 61447670) is N-ethyl-N-(2-methoxyethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-methoxyethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-ethyl-N-(2-methoxyethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide is CCN(CCOC)C(=O)c1c(C)n[nH]c1C.
What is the InChIKey of N-ethyl-N-(2-methoxyethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The InChIKey is TXTOCBPCNAAULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-5-14(6-7-16-4)11(15)10-8(2)12-13-9(10)3/h5-7H2,1-4H3,(H,12,13).
What are the key properties of N-ethyl-N-(2-methoxyethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
N-ethyl-N-(2-methoxyethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide has a molecular weight of 225.29 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methoxyethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 61447670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).