2-ethyl-N-(2-hydroxy-2,5-dimethylhexyl)-5-methylpyrazole-3-carboxamide

C15H27N3O2 — CID 111485478

IUPAC2-ethyl-N-(2-hydroxy-2,5-dimethylhexyl)-5-methylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)NCC(C)(O)CCC(C)C
InChIInChI=1S/C15H27N3O2/c1-6-18-13(9-12(4)17-18)14(19)16-10-15(5,20)8-7-11(2)3/h9,11,20H,6-8,10H2,1-5H3,(H,16,19)
InChIKeyQKZHFLJNXWVDCI-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.13
Rot. Bonds7

About 2-ethyl-N-(2-hydroxy-2,5-dimethylhexyl)-5-methylpyrazole-3-carboxamide

2-ethyl-N-(2-hydroxy-2,5-dimethylhexyl)-5-methylpyrazole-3-carboxamide (PubChem CID 111485478) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-ethyl-N-(2-hydroxy-2,5-dimethylhexyl)-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(2-hydroxy-2,5-dimethylhexyl)-5-methylpyrazole-3-carboxamide
PubChem CID111485478
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name2-ethyl-N-(2-hydroxy-2,5-dimethylhexyl)-5-methylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)NCC(C)(O)CCC(C)C
InChIInChI=1S/C15H27N3O2/c1-6-18-13(9-12(4)17-18)14(19)16-10-15(5,20)8-7-11(2)3/h9,11,20H,6-8,10H2,1-5H3,(H,16,19)
InChIKeyQKZHFLJNXWVDCI-UHFFFAOYSA-N
XLogP2.13
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-propan-2-ylpyrazole-5-carboxamide
CID 103712500
N-(5-chloro-2,2-dimethylpentyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 114149579
N-(2,3-dihydroxy-2-methylpropyl)-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide
CID 66171515
2-ethyl-N-(3-hydroxy-2-methylpropyl)-5-methylpyrazole-3-carboxamide
CID 66122042
1-ethyl-N-(2-hydroxy-2-methylpropyl)-3-propan-2-ylpyrazole-5-carboxamide
CID 65109682
2-ethyl-N-(4-hydroxy-2-methylbutyl)-5-methylpyrazole-3-carboxamide
CID 66120282
1,3-diethyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)pyrazole-5-carboxamide
CID 106249765
N-(4-chloropentyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 106129797
N-(4-aminopentyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 114146447
2-ethyl-5-methyl-N,N-bis(3-methylbutyl)pyrazole-3-carboxamide
CID 60619942
1-ethyl-N-(2-hydroxy-2,3-dimethylbutyl)-3-propan-2-ylpyrazole-5-carboxamide
CID 111483892
2-ethyl-N-(4-hydroxy-2-methylpentyl)-5-methylpyrazole-3-carboxamide
CID 111447589

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2-hydroxy-2,5-dimethylhexyl)-5-methylpyrazole-3-carboxamide?
The IUPAC name of 2-ethyl-N-(2-hydroxy-2,5-dimethylhexyl)-5-methylpyrazole-3-carboxamide (CID 111485478) is 2-ethyl-N-(2-hydroxy-2,5-dimethylhexyl)-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for 2-ethyl-N-(2-hydroxy-2,5-dimethylhexyl)-5-methylpyrazole-3-carboxamide?
The canonical SMILES for 2-ethyl-N-(2-hydroxy-2,5-dimethylhexyl)-5-methylpyrazole-3-carboxamide is CCn1nc(C)cc1C(=O)NCC(C)(O)CCC(C)C.
What is the InChIKey of 2-ethyl-N-(2-hydroxy-2,5-dimethylhexyl)-5-methylpyrazole-3-carboxamide?
The InChIKey is QKZHFLJNXWVDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-6-18-13(9-12(4)17-18)14(19)16-10-15(5,20)8-7-11(2)3/h9,11,20H,6-8,10H2,1-5H3,(H,16,19).
What are the key properties of 2-ethyl-N-(2-hydroxy-2,5-dimethylhexyl)-5-methylpyrazole-3-carboxamide?
2-ethyl-N-(2-hydroxy-2,5-dimethylhexyl)-5-methylpyrazole-3-carboxamide has a molecular weight of 281.40 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2-hydroxy-2,5-dimethylhexyl)-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 111485478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).