5-ethyl-1-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide

C17H20FN3O2 — CID 42818333

IUPAC5-ethyl-1-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCC2CCCO2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C17H20FN3O2/c1-2-16-15(17(22)19-10-14-4-3-9-23-14)11-20-21(16)13-7-5-12(18)6-8-13/h5-8,11,14H,2-4,9-10H2,1H3,(H,19,22)
InChIKeyWPGBZEJPRATJNC-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.48
Rot. Bonds5

About 5-ethyl-1-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide

5-ethyl-1-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide (PubChem CID 42818333) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is 5-ethyl-1-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-1-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
PubChem CID42818333
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name5-ethyl-1-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCC2CCCO2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C17H20FN3O2/c1-2-16-15(17(22)19-10-14-4-3-9-23-14)11-20-21(16)13-7-5-12(18)6-8-13/h5-8,11,14H,2-4,9-10H2,1H3,(H,19,22)
InChIKeyWPGBZEJPRATJNC-UHFFFAOYSA-N
XLogP2.48
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of 5-ethyl-1-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide (CID 42818333) is 5-ethyl-1-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-1-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-ethyl-1-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide is CCc1c(C(=O)NCC2CCCO2)cnn1-c1ccc(F)cc1.
What is the InChIKey of 5-ethyl-1-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is WPGBZEJPRATJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-2-16-15(17(22)19-10-14-4-3-9-23-14)11-20-21(16)13-7-5-12(18)6-8-13/h5-8,11,14H,2-4,9-10H2,1H3,(H,19,22).
What are the key properties of 5-ethyl-1-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide?
5-ethyl-1-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 317.36 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 42818333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).