4-[(3,5-dimethylpyrazol-1-yl)methyl]-N,N-bis(2-methoxyethyl)benzamide

C19H27N3O3 — CID 48985513

IUPAC4-[(3,5-dimethylpyrazol-1-yl)methyl]-N,N-bis(2-methoxyethyl)benzamide
SMILESCOCCN(CCOC)C(=O)c1ccc(Cn2nc(C)cc2C)cc1
InChIInChI=1S/C19H27N3O3/c1-15-13-16(2)22(20-15)14-17-5-7-18(8-6-17)19(23)21(9-11-24-3)10-12-25-4/h5-8,13H,9-12,14H2,1-4H3
InChIKeyCFLQKBREJKHNCX-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.28
Rot. Bonds9

About 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N,N-bis(2-methoxyethyl)benzamide

4-[(3,5-dimethylpyrazol-1-yl)methyl]-N,N-bis(2-methoxyethyl)benzamide (PubChem CID 48985513) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N,N-bis(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-N,N-bis(2-methoxyethyl)benzamide
PubChem CID48985513
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-N,N-bis(2-methoxyethyl)benzamide
SMILESCOCCN(CCOC)C(=O)c1ccc(Cn2nc(C)cc2C)cc1
InChIInChI=1S/C19H27N3O3/c1-15-13-16(2)22(20-15)14-17-5-7-18(8-6-17)19(23)21(9-11-24-3)10-12-25-4/h5-8,13H,9-12,14H2,1-4H3
InChIKeyCFLQKBREJKHNCX-UHFFFAOYSA-N
XLogP2.28
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N,N-bis(2-methoxyethyl)benzamide?
The IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N,N-bis(2-methoxyethyl)benzamide (CID 48985513) is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N,N-bis(2-methoxyethyl)benzamide.
What is the SMILES notation for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N,N-bis(2-methoxyethyl)benzamide?
The canonical SMILES for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N,N-bis(2-methoxyethyl)benzamide is COCCN(CCOC)C(=O)c1ccc(Cn2nc(C)cc2C)cc1.
What is the InChIKey of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N,N-bis(2-methoxyethyl)benzamide?
The InChIKey is CFLQKBREJKHNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-15-13-16(2)22(20-15)14-17-5-7-18(8-6-17)19(23)21(9-11-24-3)10-12-25-4/h5-8,13H,9-12,14H2,1-4H3.
What are the key properties of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N,N-bis(2-methoxyethyl)benzamide?
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N,N-bis(2-methoxyethyl)benzamide has a molecular weight of 345.44 g/mol, XLogP of 2.28, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N,N-bis(2-methoxyethyl)benzamide is sourced from PubChem (CID 48985513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).