2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)acetamide

C18H29N5O2 — CID 74234591

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)acetamide
SMILESCCn1nc(C)c(CN(CCOC)C(=O)Cc2c(C)n[nH]c2C)c1C
InChIInChI=1S/C18H29N5O2/c1-7-23-15(5)17(14(4)21-23)11-22(8-9-25-6)18(24)10-16-12(2)19-20-13(16)3/h7-11H2,1-6H3,(H,19,20)
InChIKeyGCVWQAMQEVAFPO-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.08
Rot. Bonds8

About 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)acetamide

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)acetamide (PubChem CID 74234591) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)acetamide
PubChem CID74234591
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)acetamide
SMILESCCn1nc(C)c(CN(CCOC)C(=O)Cc2c(C)n[nH]c2C)c1C
InChIInChI=1S/C18H29N5O2/c1-7-23-15(5)17(14(4)21-23)11-22(8-9-25-6)18(24)10-16-12(2)19-20-13(16)3/h7-11H2,1-6H3,(H,19,20)
InChIKeyGCVWQAMQEVAFPO-UHFFFAOYSA-N
XLogP2.08
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)acetamide (CID 74234591) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)acetamide is CCn1nc(C)c(CN(CCOC)C(=O)Cc2c(C)n[nH]c2C)c1C.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)acetamide?
The InChIKey is GCVWQAMQEVAFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-7-23-15(5)17(14(4)21-23)11-22(8-9-25-6)18(24)10-16-12(2)19-20-13(16)3/h7-11H2,1-6H3,(H,19,20).
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)acetamide?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)acetamide has a molecular weight of 347.46 g/mol, XLogP of 2.08, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 74234591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).