3-(furan-2-yl)-N-(2-hydroxypropyl)-1-phenylpyrazole-5-carboxamide

C17H17N3O3 — CID 78855996

IUPAC3-(furan-2-yl)-N-(2-hydroxypropyl)-1-phenylpyrazole-5-carboxamide
SMILESCC(O)CNC(=O)c1cc(-c2ccco2)nn1-c1ccccc1
InChIInChI=1S/C17H17N3O3/c1-12(21)11-18-17(22)15-10-14(16-8-5-9-23-16)19-20(15)13-6-3-2-4-7-13/h2-10,12,21H,11H2,1H3,(H,18,22)
InChIKeyWERCCZRRBVEBFP-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.24
Rot. Bonds5

About 3-(furan-2-yl)-N-(2-hydroxypropyl)-1-phenylpyrazole-5-carboxamide

3-(furan-2-yl)-N-(2-hydroxypropyl)-1-phenylpyrazole-5-carboxamide (PubChem CID 78855996) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-(2-hydroxypropyl)-1-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-(2-hydroxypropyl)-1-phenylpyrazole-5-carboxamide
PubChem CID78855996
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name3-(furan-2-yl)-N-(2-hydroxypropyl)-1-phenylpyrazole-5-carboxamide
SMILESCC(O)CNC(=O)c1cc(-c2ccco2)nn1-c1ccccc1
InChIInChI=1S/C17H17N3O3/c1-12(21)11-18-17(22)15-10-14(16-8-5-9-23-16)19-20(15)13-6-3-2-4-7-13/h2-10,12,21H,11H2,1H3,(H,18,22)
InChIKeyWERCCZRRBVEBFP-UHFFFAOYSA-N
XLogP2.24
TPSA80.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-(2-hydroxypropyl)-1-phenylpyrazole-5-carboxamide?
The IUPAC name of 3-(furan-2-yl)-N-(2-hydroxypropyl)-1-phenylpyrazole-5-carboxamide (CID 78855996) is 3-(furan-2-yl)-N-(2-hydroxypropyl)-1-phenylpyrazole-5-carboxamide.
What is the SMILES notation for 3-(furan-2-yl)-N-(2-hydroxypropyl)-1-phenylpyrazole-5-carboxamide?
The canonical SMILES for 3-(furan-2-yl)-N-(2-hydroxypropyl)-1-phenylpyrazole-5-carboxamide is CC(O)CNC(=O)c1cc(-c2ccco2)nn1-c1ccccc1.
What is the InChIKey of 3-(furan-2-yl)-N-(2-hydroxypropyl)-1-phenylpyrazole-5-carboxamide?
The InChIKey is WERCCZRRBVEBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-12(21)11-18-17(22)15-10-14(16-8-5-9-23-16)19-20(15)13-6-3-2-4-7-13/h2-10,12,21H,11H2,1H3,(H,18,22).
What are the key properties of 3-(furan-2-yl)-N-(2-hydroxypropyl)-1-phenylpyrazole-5-carboxamide?
3-(furan-2-yl)-N-(2-hydroxypropyl)-1-phenylpyrazole-5-carboxamide has a molecular weight of 311.34 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-(2-hydroxypropyl)-1-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 78855996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).