5-ethynyl-4-(7-methyltetradecan-7-yl)-1H-pyrazole

C20H34N2 — CID 129028311

IUPAC5-ethynyl-4-(7-methyltetradecan-7-yl)-1H-pyrazole
SMILESC#Cc1[nH]ncc1C(C)(CCCCCC)CCCCCCC
InChIInChI=1S/C20H34N2/c1-5-8-10-12-14-16-20(4,15-13-11-9-6-2)18-17-21-22-19(18)7-3/h3,17H,5-6,8-16H2,1-2,4H3,(H,21,22)
InChIKeyWMWPSLLERQYVKL-UHFFFAOYSA-N
MW302.51 g/mol
LogP5.98
Rot. Bonds12

About 5-ethynyl-4-(7-methyltetradecan-7-yl)-1H-pyrazole

5-ethynyl-4-(7-methyltetradecan-7-yl)-1H-pyrazole (PubChem CID 129028311) has the molecular formula C20H34N2 and a molecular weight of 302.51 g/mol. Its IUPAC name is 5-ethynyl-4-(7-methyltetradecan-7-yl)-1H-pyrazole.

Molecular Properties

Compound Name5-ethynyl-4-(7-methyltetradecan-7-yl)-1H-pyrazole
PubChem CID129028311
Molecular FormulaC20H34N2
Molecular Weight302.51 g/mol
Exact Mass302.27
IUPAC Name5-ethynyl-4-(7-methyltetradecan-7-yl)-1H-pyrazole
SMILESC#Cc1[nH]ncc1C(C)(CCCCCC)CCCCCCC
InChIInChI=1S/C20H34N2/c1-5-8-10-12-14-16-20(4,15-13-11-9-6-2)18-17-21-22-19(18)7-3/h3,17H,5-6,8-16H2,1-2,4H3,(H,21,22)
InChIKeyWMWPSLLERQYVKL-UHFFFAOYSA-N
XLogP5.98
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.51
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-ethynyl-4-(7-methyltetradecan-7-yl)-1H-pyrazole 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

4-bromo-5-(6-methyldodecan-6-yl)-1H-pyrazole
CID 146377921
2-ethynyl-5-(3-methylnonan-3-yl)-1H-imidazole
CID 126513989
3-ethynyl-4-(3-methyldecan-3-yl)-1,2-thiazole
CID 155109993
3-ethynyl-4-(3-methylnonan-3-yl)-1,2-thiazole
CID 129132646
4-(5-methylundecan-5-yl)-1H-pyrazole
CID 139543634
4-methyl-3-(6-methyldodecan-6-yl)pyridine
CID 134177281
2-ethynyl-5-(2-methylheptan-2-yl)-1H-imidazole
CID 129132503
5-(5-methylundecan-5-yl)-1H-imidazole
CID 166683864
2-fluoro-3-(5-methylundecan-5-yl)pyridine
CID 139342335
3-fluoro-5-(6-methyldodecan-6-yl)-1H-pyrazole
CID 146377789
3-bromo-5-(6-methyldodecan-6-yl)-1H-pyrazole
CID 146377948
2,5-difluoro-3-(6-methyldodecan-6-yl)-1H-pyrrole
CID 146377794

Frequently Asked Questions

What is the IUPAC name of 5-ethynyl-4-(7-methyltetradecan-7-yl)-1H-pyrazole?
The IUPAC name of 5-ethynyl-4-(7-methyltetradecan-7-yl)-1H-pyrazole (CID 129028311) is 5-ethynyl-4-(7-methyltetradecan-7-yl)-1H-pyrazole.
What is the SMILES notation for 5-ethynyl-4-(7-methyltetradecan-7-yl)-1H-pyrazole?
The canonical SMILES for 5-ethynyl-4-(7-methyltetradecan-7-yl)-1H-pyrazole is C#Cc1[nH]ncc1C(C)(CCCCCC)CCCCCCC.
What is the InChIKey of 5-ethynyl-4-(7-methyltetradecan-7-yl)-1H-pyrazole?
The InChIKey is WMWPSLLERQYVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2/c1-5-8-10-12-14-16-20(4,15-13-11-9-6-2)18-17-21-22-19(18)7-3/h3,17H,5-6,8-16H2,1-2,4H3,(H,21,22).
What are the key properties of 5-ethynyl-4-(7-methyltetradecan-7-yl)-1H-pyrazole?
5-ethynyl-4-(7-methyltetradecan-7-yl)-1H-pyrazole has a molecular weight of 302.51 g/mol, XLogP of 5.98, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethynyl-4-(7-methyltetradecan-7-yl)-1H-pyrazole is sourced from PubChem (CID 129028311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).