(2-dodecyl-5-methylpyrazol-3-yl) ethyl carbonate

C19H34N2O3 — CID 10337231

IUPAC(2-dodecyl-5-methylpyrazol-3-yl) ethyl carbonate
SMILESCCCCCCCCCCCCn1nc(C)cc1OC(=O)OCC
InChIInChI=1S/C19H34N2O3/c1-4-6-7-8-9-10-11-12-13-14-15-21-18(16-17(3)20-21)24-19(22)23-5-2/h16H,4-15H2,1-3H3
InChIKeyJDFLOMISUTZWQF-UHFFFAOYSA-N
MW338.49 g/mol
LogP5.65
Rot. Bonds13

About (2-dodecyl-5-methylpyrazol-3-yl) ethyl carbonate

(2-dodecyl-5-methylpyrazol-3-yl) ethyl carbonate (PubChem CID 10337231) has the molecular formula C19H34N2O3 and a molecular weight of 338.49 g/mol. Its IUPAC name is (2-dodecyl-5-methylpyrazol-3-yl) ethyl carbonate.

Molecular Properties

Compound Name(2-dodecyl-5-methylpyrazol-3-yl) ethyl carbonate
PubChem CID10337231
Molecular FormulaC19H34N2O3
Molecular Weight338.49 g/mol
Exact Mass338.26
IUPAC Name(2-dodecyl-5-methylpyrazol-3-yl) ethyl carbonate
SMILESCCCCCCCCCCCCn1nc(C)cc1OC(=O)OCC
InChIInChI=1S/C19H34N2O3/c1-4-6-7-8-9-10-11-12-13-14-15-21-18(16-17(3)20-21)24-19(22)23-5-2/h16H,4-15H2,1-3H3
InChIKeyJDFLOMISUTZWQF-UHFFFAOYSA-N
XLogP5.65
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.49
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2-dodecyl-5-methylpyrazol-3-yl) ethyl carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-hexyl-5-methylpyrazole-3-carbaldehyde
CID 139675232
2-heptyl-5-methylpyrazole-3-carbaldehyde
CID 139675296
2-butyl-5-methylpyrazole-3-carboxylic acid
CID 68714400
(5-methyl-2-phenylpyrazol-3-yl) heptanoate
CID 155801802
ethyl 3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-methylpropanoate
CID 114536496
1-butyl-5-chloro-3-methylpyrazole
CID 66021188
1-butyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 19332430
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]octan-1-amine
CID 115573303
(1-butyltetrazol-5-yl)methyl 3-(3,5-dimethylpyrazol-1-yl)propanoate
CID 55562402
(4-ethoxycarbonyloxyfuran-3-yl) ethyl carbonate
CID 70484352
2-butyl-4-(butylaminomethyl)-6-methylpyridazin-3-one
CID 82442924
ethyl tetradecyl carbonate
CID 6421505

Frequently Asked Questions

What is the IUPAC name of (2-dodecyl-5-methylpyrazol-3-yl) ethyl carbonate?
The IUPAC name of (2-dodecyl-5-methylpyrazol-3-yl) ethyl carbonate (CID 10337231) is (2-dodecyl-5-methylpyrazol-3-yl) ethyl carbonate.
What is the SMILES notation for (2-dodecyl-5-methylpyrazol-3-yl) ethyl carbonate?
The canonical SMILES for (2-dodecyl-5-methylpyrazol-3-yl) ethyl carbonate is CCCCCCCCCCCCn1nc(C)cc1OC(=O)OCC.
What is the InChIKey of (2-dodecyl-5-methylpyrazol-3-yl) ethyl carbonate?
The InChIKey is JDFLOMISUTZWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O3/c1-4-6-7-8-9-10-11-12-13-14-15-21-18(16-17(3)20-21)24-19(22)23-5-2/h16H,4-15H2,1-3H3.
What are the key properties of (2-dodecyl-5-methylpyrazol-3-yl) ethyl carbonate?
(2-dodecyl-5-methylpyrazol-3-yl) ethyl carbonate has a molecular weight of 338.49 g/mol, XLogP of 5.65, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-dodecyl-5-methylpyrazol-3-yl) ethyl carbonate is sourced from PubChem (CID 10337231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).