2-ethyl-N-(4-hydroxy-2-methylbutyl)-5-methylpyrazole-3-carboxamide

C12H21N3O2 — CID 66120282

IUPAC2-ethyl-N-(4-hydroxy-2-methylbutyl)-5-methylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)NCC(C)CCO
InChIInChI=1S/C12H21N3O2/c1-4-15-11(7-10(3)14-15)12(17)13-8-9(2)5-6-16/h7,9,16H,4-6,8H2,1-3H3,(H,13,17)
InChIKeyKIPHRUOKGABAAW-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.96
Rot. Bonds6

About 2-ethyl-N-(4-hydroxy-2-methylbutyl)-5-methylpyrazole-3-carboxamide

2-ethyl-N-(4-hydroxy-2-methylbutyl)-5-methylpyrazole-3-carboxamide (PubChem CID 66120282) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-ethyl-N-(4-hydroxy-2-methylbutyl)-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(4-hydroxy-2-methylbutyl)-5-methylpyrazole-3-carboxamide
PubChem CID66120282
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2-ethyl-N-(4-hydroxy-2-methylbutyl)-5-methylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)NCC(C)CCO
InChIInChI=1S/C12H21N3O2/c1-4-15-11(7-10(3)14-15)12(17)13-8-9(2)5-6-16/h7,9,16H,4-6,8H2,1-3H3,(H,13,17)
InChIKeyKIPHRUOKGABAAW-UHFFFAOYSA-N
XLogP0.96
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-N-(3-hydroxy-2-methylpropyl)-5-methylpyrazole-3-carboxamide
CID 66122042
2-ethyl-N-(4-hydroxy-2-methylpentyl)-5-methylpyrazole-3-carboxamide
CID 111447589
N-(4-chloropentyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 106129797
N-(4-aminopentyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 114146447
2-ethyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-5-methylpyrazole-3-carboxamide
CID 103941002
2-ethyl-N-(6-hydroxyhexyl)-5-methylpyrazole-3-carboxamide
CID 113351807
4-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]-3-methylbutan-1-ol
CID 66108551
N-(4-amino-2-methylbutyl)-1,3-diethylpyrazole-5-carboxamide
CID 66122010
N-[3-(dimethylamino)-2-hydroxypropyl]-2-ethyl-5-methylpyrazole-3-carboxamide
CID 110281351
2-ethyl-N-(2-hydroxy-2,5-dimethylhexyl)-5-methylpyrazole-3-carboxamide
CID 111485478
N-[2-(4-aminophenyl)-2-hydroxyethyl]-2-ethyl-5-methylpyrazole-3-carboxamide
CID 66127388
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-ethyl-5-methylpyrazole-3-carboxamide
CID 110931263

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(4-hydroxy-2-methylbutyl)-5-methylpyrazole-3-carboxamide?
The IUPAC name of 2-ethyl-N-(4-hydroxy-2-methylbutyl)-5-methylpyrazole-3-carboxamide (CID 66120282) is 2-ethyl-N-(4-hydroxy-2-methylbutyl)-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for 2-ethyl-N-(4-hydroxy-2-methylbutyl)-5-methylpyrazole-3-carboxamide?
The canonical SMILES for 2-ethyl-N-(4-hydroxy-2-methylbutyl)-5-methylpyrazole-3-carboxamide is CCn1nc(C)cc1C(=O)NCC(C)CCO.
What is the InChIKey of 2-ethyl-N-(4-hydroxy-2-methylbutyl)-5-methylpyrazole-3-carboxamide?
The InChIKey is KIPHRUOKGABAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-4-15-11(7-10(3)14-15)12(17)13-8-9(2)5-6-16/h7,9,16H,4-6,8H2,1-3H3,(H,13,17).
What are the key properties of 2-ethyl-N-(4-hydroxy-2-methylbutyl)-5-methylpyrazole-3-carboxamide?
2-ethyl-N-(4-hydroxy-2-methylbutyl)-5-methylpyrazole-3-carboxamide has a molecular weight of 239.32 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(4-hydroxy-2-methylbutyl)-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 66120282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).