5-hydroxypentyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate

C12H21N3O3 — CID 66117835

IUPAC5-hydroxypentyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate
SMILESCCc1nn(C)c(C(=O)OCCCCCO)c1N
InChIInChI=1S/C12H21N3O3/c1-3-9-10(13)11(15(2)14-9)12(17)18-8-6-4-5-7-16/h16H,3-8,13H2,1-2H3
InChIKeyHMSAQPFUSUTOMG-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.88
Rot. Bonds7

About 5-hydroxypentyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate

5-hydroxypentyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate (PubChem CID 66117835) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 5-hydroxypentyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate.

Molecular Properties

Compound Name5-hydroxypentyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate
PubChem CID66117835
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name5-hydroxypentyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate
SMILESCCc1nn(C)c(C(=O)OCCCCCO)c1N
InChIInChI=1S/C12H21N3O3/c1-3-9-10(13)11(15(2)14-9)12(17)18-8-6-4-5-7-16/h16H,3-8,13H2,1-2H3
InChIKeyHMSAQPFUSUTOMG-UHFFFAOYSA-N
XLogP0.88
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-cyclobutylethyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate
CID 106203640
cyclopentyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate
CID 66117193
1-methoxypropan-2-yl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate
CID 66116354
[2-(cyanomethylamino)-2-oxoethyl] 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate
CID 66119509
4-amino-3-ethyl-1-methyl-N-(4-propan-2-yloxybutyl)pyrazole-5-carboxamide
CID 106006154
octyl 4-amino-1-methylpyrazole-5-carboxylate
CID 65357273
4-amino-N-[3-(dimethylamino)propyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
CID 66119287
(3-cyanophenyl)methyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate
CID 66119090
(3-bromophenyl)methyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate
CID 66118689
(3-bromothiophen-2-yl)methyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate
CID 66116783
1-phenylethyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate
CID 66117831
4-amino-N-butan-2-yl-N,3-diethyl-1-methylpyrazole-5-carboxamide
CID 66125494

Frequently Asked Questions

What is the IUPAC name of 5-hydroxypentyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate?
The IUPAC name of 5-hydroxypentyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate (CID 66117835) is 5-hydroxypentyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate.
What is the SMILES notation for 5-hydroxypentyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate?
The canonical SMILES for 5-hydroxypentyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate is CCc1nn(C)c(C(=O)OCCCCCO)c1N.
What is the InChIKey of 5-hydroxypentyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate?
The InChIKey is HMSAQPFUSUTOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-3-9-10(13)11(15(2)14-9)12(17)18-8-6-4-5-7-16/h16H,3-8,13H2,1-2H3.
What are the key properties of 5-hydroxypentyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate?
5-hydroxypentyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate has a molecular weight of 255.32 g/mol, XLogP of 0.88, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxypentyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate is sourced from PubChem (CID 66117835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).