1-methyl-4-[5-[2-(4-propan-2-ylpyrazol-1-yl)ethoxy]pentyl]pyrazole

C17H28N4O — CID 146261363

IUPAC1-methyl-4-[5-[2-(4-propan-2-ylpyrazol-1-yl)ethoxy]pentyl]pyrazole
SMILESCC(C)c1cnn(CCOCCCCCc2cnn(C)c2)c1
InChIInChI=1S/C17H28N4O/c1-15(2)17-12-19-21(14-17)8-10-22-9-6-4-5-7-16-11-18-20(3)13-16/h11-15H,4-10H2,1-3H3
InChIKeyFDYIIGCPCSVXSK-UHFFFAOYSA-N
MW304.44 g/mol
LogP3.17
Rot. Bonds10

About 1-methyl-4-[5-[2-(4-propan-2-ylpyrazol-1-yl)ethoxy]pentyl]pyrazole

1-methyl-4-[5-[2-(4-propan-2-ylpyrazol-1-yl)ethoxy]pentyl]pyrazole (PubChem CID 146261363) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 1-methyl-4-[5-[2-(4-propan-2-ylpyrazol-1-yl)ethoxy]pentyl]pyrazole.

Molecular Properties

Compound Name1-methyl-4-[5-[2-(4-propan-2-ylpyrazol-1-yl)ethoxy]pentyl]pyrazole
PubChem CID146261363
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name1-methyl-4-[5-[2-(4-propan-2-ylpyrazol-1-yl)ethoxy]pentyl]pyrazole
SMILESCC(C)c1cnn(CCOCCCCCc2cnn(C)c2)c1
InChIInChI=1S/C17H28N4O/c1-15(2)17-12-19-21(14-17)8-10-22-9-6-4-5-7-16-11-18-20(3)13-16/h11-15H,4-10H2,1-3H3
InChIKeyFDYIIGCPCSVXSK-UHFFFAOYSA-N
XLogP3.17
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-methyl-4-[5-[2-(4-propan-2-ylpyrazol-1-yl)ethoxy]pentyl]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

N-methyl-1-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrazol-4-yl]ethanamine
CID 103014944
1-ethyl-4-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole
CID 163865872
1-[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pyrazol-4-yl]ethanol
CID 104566990
2-[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pyrazol-4-yl]ethanamine
CID 104567009
1-[1-(2-butoxyethyl)pyrazol-4-yl]-N-methylethanamine
CID 62731777
1-[1-(2-butoxyethyl)pyrazol-4-yl]propan-2-amine
CID 62731510
4-(4-chloropentyl)-1-methylpyrazole
CID 64514682
1-[4-(4,4-dimethylpentoxy)butyl]-4-[(4-propan-2-ylpyrazol-1-yl)methyl]piperidine
CID 167418152
4-(5-bromo-6-methylheptyl)-1-methylpyrazole
CID 103016068
3-(1-methylpyrazol-4-yl)propan-1-amine
CID 47003365
2-methyl-1-[3-(1-methylpyrazol-4-yl)propyl]-3-[3-(4-propan-2-ylphenyl)propyl]guanidine
CID 111549251
6-(1-methylpyrazol-4-yl)hexan-3-amine
CID 64506048

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[5-[2-(4-propan-2-ylpyrazol-1-yl)ethoxy]pentyl]pyrazole?
The IUPAC name of 1-methyl-4-[5-[2-(4-propan-2-ylpyrazol-1-yl)ethoxy]pentyl]pyrazole (CID 146261363) is 1-methyl-4-[5-[2-(4-propan-2-ylpyrazol-1-yl)ethoxy]pentyl]pyrazole.
What is the SMILES notation for 1-methyl-4-[5-[2-(4-propan-2-ylpyrazol-1-yl)ethoxy]pentyl]pyrazole?
The canonical SMILES for 1-methyl-4-[5-[2-(4-propan-2-ylpyrazol-1-yl)ethoxy]pentyl]pyrazole is CC(C)c1cnn(CCOCCCCCc2cnn(C)c2)c1.
What is the InChIKey of 1-methyl-4-[5-[2-(4-propan-2-ylpyrazol-1-yl)ethoxy]pentyl]pyrazole?
The InChIKey is FDYIIGCPCSVXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-15(2)17-12-19-21(14-17)8-10-22-9-6-4-5-7-16-11-18-20(3)13-16/h11-15H,4-10H2,1-3H3.
What are the key properties of 1-methyl-4-[5-[2-(4-propan-2-ylpyrazol-1-yl)ethoxy]pentyl]pyrazole?
1-methyl-4-[5-[2-(4-propan-2-ylpyrazol-1-yl)ethoxy]pentyl]pyrazole has a molecular weight of 304.44 g/mol, XLogP of 3.17, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[5-[2-(4-propan-2-ylpyrazol-1-yl)ethoxy]pentyl]pyrazole is sourced from PubChem (CID 146261363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).