1,3-diethyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)pyrazole-5-carboxamide

C14H25N3O3 — CID 106249765

IUPAC1,3-diethyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)pyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NCC(C)(O)CCOC)n(CC)n1
InChIInChI=1S/C14H25N3O3/c1-5-11-9-12(17(6-2)16-11)13(18)15-10-14(3,19)7-8-20-4/h9,19H,5-8,10H2,1-4H3,(H,15,18)
InChIKeyJSFQLGTWOBOMKD-UHFFFAOYSA-N
MW283.37 g/mol
LogP0.98
Rot. Bonds8

About 1,3-diethyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)pyrazole-5-carboxamide

1,3-diethyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)pyrazole-5-carboxamide (PubChem CID 106249765) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1,3-diethyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1,3-diethyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)pyrazole-5-carboxamide
PubChem CID106249765
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name1,3-diethyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)pyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NCC(C)(O)CCOC)n(CC)n1
InChIInChI=1S/C14H25N3O3/c1-5-11-9-12(17(6-2)16-11)13(18)15-10-14(3,19)7-8-20-4/h9,19H,5-8,10H2,1-4H3,(H,15,18)
InChIKeyJSFQLGTWOBOMKD-UHFFFAOYSA-N
XLogP0.98
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-propan-2-ylpyrazole-5-carboxamide
CID 103712500
ethyl 2-[(1,3-diethylpyrazole-5-carbonyl)amino]acetate
CID 66120233
1,3-diethyl-N-(2-methoxyethoxy)pyrazole-5-carboxamide
CID 82721370
2-ethyl-N-(2-hydroxy-2,5-dimethylhexyl)-5-methylpyrazole-3-carboxamide
CID 111485478
N-(2,3-dihydroxy-2-methylpropyl)-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide
CID 66171515
N-(2-aminoethyl)-1,3-diethylpyrazole-5-carboxamide
CID 66121952
3-ethyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-methylpyrazole-5-carboxamide
CID 114163305
1,3-diethyl-N-(2-hydroxy-4,4-dimethylpentyl)pyrazole-5-carboxamide
CID 107155249
1-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]-4-methoxy-2-methylbutan-2-ol
CID 114164718
4-chloro-N-(2-hydroxy-4-methoxy-2-methylbutyl)-1-propylpyrrole-2-carboxamide
CID 106250582
N-(2-hydroxy-4-methoxy-2-methylbutyl)-1H-pyrazole-4-carboxamide
CID 103712317
1,3-diethyl-N-(3-methyl-2-oxobutyl)pyrazole-5-carboxamide
CID 66121592

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)pyrazole-5-carboxamide?
The IUPAC name of 1,3-diethyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)pyrazole-5-carboxamide (CID 106249765) is 1,3-diethyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1,3-diethyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)pyrazole-5-carboxamide?
The canonical SMILES for 1,3-diethyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)pyrazole-5-carboxamide is CCc1cc(C(=O)NCC(C)(O)CCOC)n(CC)n1.
What is the InChIKey of 1,3-diethyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)pyrazole-5-carboxamide?
The InChIKey is JSFQLGTWOBOMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-5-11-9-12(17(6-2)16-11)13(18)15-10-14(3,19)7-8-20-4/h9,19H,5-8,10H2,1-4H3,(H,15,18).
What are the key properties of 1,3-diethyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)pyrazole-5-carboxamide?
1,3-diethyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)pyrazole-5-carboxamide has a molecular weight of 283.37 g/mol, XLogP of 0.98, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)pyrazole-5-carboxamide is sourced from PubChem (CID 106249765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).