5-ethyl-3-methyl-N-(oxolan-2-ylmethyl)-1-phenylpyrazole-4-carboxamide

C18H23N3O2 — CID 24712299

IUPAC5-ethyl-3-methyl-N-(oxolan-2-ylmethyl)-1-phenylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCC2CCCO2)c(C)nn1-c1ccccc1
InChIInChI=1S/C18H23N3O2/c1-3-16-17(18(22)19-12-15-10-7-11-23-15)13(2)20-21(16)14-8-5-4-6-9-14/h4-6,8-9,15H,3,7,10-12H2,1-2H3,(H,19,22)
InChIKeyWCNKLYUUHSAQBF-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.65
Rot. Bonds5

About 5-ethyl-3-methyl-N-(oxolan-2-ylmethyl)-1-phenylpyrazole-4-carboxamide

5-ethyl-3-methyl-N-(oxolan-2-ylmethyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 24712299) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 5-ethyl-3-methyl-N-(oxolan-2-ylmethyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-3-methyl-N-(oxolan-2-ylmethyl)-1-phenylpyrazole-4-carboxamide
PubChem CID24712299
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name5-ethyl-3-methyl-N-(oxolan-2-ylmethyl)-1-phenylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCC2CCCO2)c(C)nn1-c1ccccc1
InChIInChI=1S/C18H23N3O2/c1-3-16-17(18(22)19-12-15-10-7-11-23-15)13(2)20-21(16)14-8-5-4-6-9-14/h4-6,8-9,15H,3,7,10-12H2,1-2H3,(H,19,22)
InChIKeyWCNKLYUUHSAQBF-UHFFFAOYSA-N
XLogP2.65
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-methyl-N-(oxolan-2-ylmethyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-ethyl-3-methyl-N-(oxolan-2-ylmethyl)-1-phenylpyrazole-4-carboxamide (CID 24712299) is 5-ethyl-3-methyl-N-(oxolan-2-ylmethyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-3-methyl-N-(oxolan-2-ylmethyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-ethyl-3-methyl-N-(oxolan-2-ylmethyl)-1-phenylpyrazole-4-carboxamide is CCc1c(C(=O)NCC2CCCO2)c(C)nn1-c1ccccc1.
What is the InChIKey of 5-ethyl-3-methyl-N-(oxolan-2-ylmethyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is WCNKLYUUHSAQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-3-16-17(18(22)19-12-15-10-7-11-23-15)13(2)20-21(16)14-8-5-4-6-9-14/h4-6,8-9,15H,3,7,10-12H2,1-2H3,(H,19,22).
What are the key properties of 5-ethyl-3-methyl-N-(oxolan-2-ylmethyl)-1-phenylpyrazole-4-carboxamide?
5-ethyl-3-methyl-N-(oxolan-2-ylmethyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-methyl-N-(oxolan-2-ylmethyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 24712299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).