N,N-bis(2-methoxyethyl)-1-methylpyrazole-4-carboxamide

C11H19N3O3 — CID 51073398

IUPACN,N-bis(2-methoxyethyl)-1-methylpyrazole-4-carboxamide
SMILESCOCCN(CCOC)C(=O)c1cnn(C)c1
InChIInChI=1S/C11H19N3O3/c1-13-9-10(8-12-13)11(15)14(4-6-16-2)5-7-17-3/h8-9H,4-7H2,1-3H3
InChIKeyRULWECHLWQOCMW-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.16
Rot. Bonds7

About N,N-bis(2-methoxyethyl)-1-methylpyrazole-4-carboxamide

N,N-bis(2-methoxyethyl)-1-methylpyrazole-4-carboxamide (PubChem CID 51073398) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is N,N-bis(2-methoxyethyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN,N-bis(2-methoxyethyl)-1-methylpyrazole-4-carboxamide
PubChem CID51073398
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC NameN,N-bis(2-methoxyethyl)-1-methylpyrazole-4-carboxamide
SMILESCOCCN(CCOC)C(=O)c1cnn(C)c1
InChIInChI=1S/C11H19N3O3/c1-13-9-10(8-12-13)11(15)14(4-6-16-2)5-7-17-3/h8-9H,4-7H2,1-3H3
InChIKeyRULWECHLWQOCMW-UHFFFAOYSA-N
XLogP0.16
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methoxyethyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of N,N-bis(2-methoxyethyl)-1-methylpyrazole-4-carboxamide (CID 51073398) is N,N-bis(2-methoxyethyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N,N-bis(2-methoxyethyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N,N-bis(2-methoxyethyl)-1-methylpyrazole-4-carboxamide is COCCN(CCOC)C(=O)c1cnn(C)c1.
What is the InChIKey of N,N-bis(2-methoxyethyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is RULWECHLWQOCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-13-9-10(8-12-13)11(15)14(4-6-16-2)5-7-17-3/h8-9H,4-7H2,1-3H3.
What are the key properties of N,N-bis(2-methoxyethyl)-1-methylpyrazole-4-carboxamide?
N,N-bis(2-methoxyethyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 241.29 g/mol, XLogP of 0.16, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methoxyethyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 51073398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).