2-ethyl-N-(6-hydroxyhexyl)-5-methylpyrazole-3-carboxamide

C13H23N3O2 — CID 113351807

IUPAC2-ethyl-N-(6-hydroxyhexyl)-5-methylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)NCCCCCCO
InChIInChI=1S/C13H23N3O2/c1-3-16-12(10-11(2)15-16)13(18)14-8-6-4-5-7-9-17/h10,17H,3-9H2,1-2H3,(H,14,18)
InChIKeyIDRJRAQHZAUMKX-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.49
Rot. Bonds8

About 2-ethyl-N-(6-hydroxyhexyl)-5-methylpyrazole-3-carboxamide

2-ethyl-N-(6-hydroxyhexyl)-5-methylpyrazole-3-carboxamide (PubChem CID 113351807) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-ethyl-N-(6-hydroxyhexyl)-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(6-hydroxyhexyl)-5-methylpyrazole-3-carboxamide
PubChem CID113351807
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2-ethyl-N-(6-hydroxyhexyl)-5-methylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)NCCCCCCO
InChIInChI=1S/C13H23N3O2/c1-3-16-12(10-11(2)15-16)13(18)14-8-6-4-5-7-9-17/h10,17H,3-9H2,1-2H3,(H,14,18)
InChIKeyIDRJRAQHZAUMKX-UHFFFAOYSA-N
XLogP1.49
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminopentyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 114146447
N-(4-chloropentyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 106129797
N-(3-azidopropyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 66122444
N-(4-amino-4-hydroxyiminobutyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 77113223
2-ethyl-N-(4-hydroxy-2-methylbutyl)-5-methylpyrazole-3-carboxamide
CID 66120282
2-ethyl-N-(3-hydroxy-2-methylpropyl)-5-methylpyrazole-3-carboxamide
CID 66122042
N-(3-amino-3-hydroxyiminopropyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 77113224
N-(5-aminopentyl)-1,3-diethylpyrazole-5-carboxamide
CID 66120386
2-ethyl-5-methyl-N-(2-piperazin-1-ylethyl)pyrazole-3-carboxamide
CID 66128465
2-[[2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]acetyl]amino]acetic acid
CID 66127823
2-ethyl-5-methyl-N-(2-piperidin-4-yloxyethyl)pyrazole-3-carboxamide
CID 66122627
2-ethyl-N-[(2R)-1-hydroxybutan-2-yl]-5-methylpyrazole-3-carboxamide
CID 103919961

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(6-hydroxyhexyl)-5-methylpyrazole-3-carboxamide?
The IUPAC name of 2-ethyl-N-(6-hydroxyhexyl)-5-methylpyrazole-3-carboxamide (CID 113351807) is 2-ethyl-N-(6-hydroxyhexyl)-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for 2-ethyl-N-(6-hydroxyhexyl)-5-methylpyrazole-3-carboxamide?
The canonical SMILES for 2-ethyl-N-(6-hydroxyhexyl)-5-methylpyrazole-3-carboxamide is CCn1nc(C)cc1C(=O)NCCCCCCO.
What is the InChIKey of 2-ethyl-N-(6-hydroxyhexyl)-5-methylpyrazole-3-carboxamide?
The InChIKey is IDRJRAQHZAUMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-3-16-12(10-11(2)15-16)13(18)14-8-6-4-5-7-9-17/h10,17H,3-9H2,1-2H3,(H,14,18).
What are the key properties of 2-ethyl-N-(6-hydroxyhexyl)-5-methylpyrazole-3-carboxamide?
2-ethyl-N-(6-hydroxyhexyl)-5-methylpyrazole-3-carboxamide has a molecular weight of 253.35 g/mol, XLogP of 1.49, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(6-hydroxyhexyl)-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 113351807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).