5-ethyl-N-(4-hydroxy-2,2-dimethylpentyl)-1-(2-methylpropyl)pyrazole-4-carboxamide

C17H31N3O2 — CID 109477074

IUPAC5-ethyl-N-(4-hydroxy-2,2-dimethylpentyl)-1-(2-methylpropyl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCC(C)(C)CC(C)O)cnn1CC(C)C
InChIInChI=1S/C17H31N3O2/c1-7-15-14(9-19-20(15)10-12(2)3)16(22)18-11-17(5,6)8-13(4)21/h9,12-13,21H,7-8,10-11H2,1-6H3,(H,18,22)
InChIKeyBBWWFFWFEOFFNW-UHFFFAOYSA-N
MW309.45 g/mol
LogP2.63
Rot. Bonds8

About 5-ethyl-N-(4-hydroxy-2,2-dimethylpentyl)-1-(2-methylpropyl)pyrazole-4-carboxamide

5-ethyl-N-(4-hydroxy-2,2-dimethylpentyl)-1-(2-methylpropyl)pyrazole-4-carboxamide (PubChem CID 109477074) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is 5-ethyl-N-(4-hydroxy-2,2-dimethylpentyl)-1-(2-methylpropyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-(4-hydroxy-2,2-dimethylpentyl)-1-(2-methylpropyl)pyrazole-4-carboxamide
PubChem CID109477074
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC Name5-ethyl-N-(4-hydroxy-2,2-dimethylpentyl)-1-(2-methylpropyl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCC(C)(C)CC(C)O)cnn1CC(C)C
InChIInChI=1S/C17H31N3O2/c1-7-15-14(9-19-20(15)10-12(2)3)16(22)18-11-17(5,6)8-13(4)21/h9,12-13,21H,7-8,10-11H2,1-6H3,(H,18,22)
InChIKeyBBWWFFWFEOFFNW-UHFFFAOYSA-N
XLogP2.63
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(4-hydroxy-2,2-dimethylpentyl)-1-(2-methylpropyl)pyrazole-4-carboxamide?
The IUPAC name of 5-ethyl-N-(4-hydroxy-2,2-dimethylpentyl)-1-(2-methylpropyl)pyrazole-4-carboxamide (CID 109477074) is 5-ethyl-N-(4-hydroxy-2,2-dimethylpentyl)-1-(2-methylpropyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-N-(4-hydroxy-2,2-dimethylpentyl)-1-(2-methylpropyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-ethyl-N-(4-hydroxy-2,2-dimethylpentyl)-1-(2-methylpropyl)pyrazole-4-carboxamide is CCc1c(C(=O)NCC(C)(C)CC(C)O)cnn1CC(C)C.
What is the InChIKey of 5-ethyl-N-(4-hydroxy-2,2-dimethylpentyl)-1-(2-methylpropyl)pyrazole-4-carboxamide?
The InChIKey is BBWWFFWFEOFFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-7-15-14(9-19-20(15)10-12(2)3)16(22)18-11-17(5,6)8-13(4)21/h9,12-13,21H,7-8,10-11H2,1-6H3,(H,18,22).
What are the key properties of 5-ethyl-N-(4-hydroxy-2,2-dimethylpentyl)-1-(2-methylpropyl)pyrazole-4-carboxamide?
5-ethyl-N-(4-hydroxy-2,2-dimethylpentyl)-1-(2-methylpropyl)pyrazole-4-carboxamide has a molecular weight of 309.45 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(4-hydroxy-2,2-dimethylpentyl)-1-(2-methylpropyl)pyrazole-4-carboxamide is sourced from PubChem (CID 109477074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).