N-benzyl-N-(2-methoxyethyl)-1,5-dimethylpyrazole-4-carboxamide

C16H21N3O2 — CID 51075770

IUPACN-benzyl-N-(2-methoxyethyl)-1,5-dimethylpyrazole-4-carboxamide
SMILESCOCCN(Cc1ccccc1)C(=O)c1cnn(C)c1C
InChIInChI=1S/C16H21N3O2/c1-13-15(11-17-18(13)2)16(20)19(9-10-21-3)12-14-7-5-4-6-8-14/h4-8,11H,9-10,12H2,1-3H3
InChIKeyJZIOSKPXZQAVQW-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.02
Rot. Bonds6

About N-benzyl-N-(2-methoxyethyl)-1,5-dimethylpyrazole-4-carboxamide

N-benzyl-N-(2-methoxyethyl)-1,5-dimethylpyrazole-4-carboxamide (PubChem CID 51075770) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-benzyl-N-(2-methoxyethyl)-1,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(2-methoxyethyl)-1,5-dimethylpyrazole-4-carboxamide
PubChem CID51075770
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-benzyl-N-(2-methoxyethyl)-1,5-dimethylpyrazole-4-carboxamide
SMILESCOCCN(Cc1ccccc1)C(=O)c1cnn(C)c1C
InChIInChI=1S/C16H21N3O2/c1-13-15(11-17-18(13)2)16(20)19(9-10-21-3)12-14-7-5-4-6-8-14/h4-8,11H,9-10,12H2,1-3H3
InChIKeyJZIOSKPXZQAVQW-UHFFFAOYSA-N
XLogP2.02
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-methoxyethyl)-1,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-benzyl-N-(2-methoxyethyl)-1,5-dimethylpyrazole-4-carboxamide (CID 51075770) is N-benzyl-N-(2-methoxyethyl)-1,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-benzyl-N-(2-methoxyethyl)-1,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-benzyl-N-(2-methoxyethyl)-1,5-dimethylpyrazole-4-carboxamide is COCCN(Cc1ccccc1)C(=O)c1cnn(C)c1C.
What is the InChIKey of N-benzyl-N-(2-methoxyethyl)-1,5-dimethylpyrazole-4-carboxamide?
The InChIKey is JZIOSKPXZQAVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-13-15(11-17-18(13)2)16(20)19(9-10-21-3)12-14-7-5-4-6-8-14/h4-8,11H,9-10,12H2,1-3H3.
What are the key properties of N-benzyl-N-(2-methoxyethyl)-1,5-dimethylpyrazole-4-carboxamide?
N-benzyl-N-(2-methoxyethyl)-1,5-dimethylpyrazole-4-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.02, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-methoxyethyl)-1,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 51075770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).