3-(3-methylbutyl)-5-(4-methylpentyl)-3H-pyrazole

C14H26N2 — CID 155337274

IUPAC3-(3-methylbutyl)-5-(4-methylpentyl)-3H-pyrazole
SMILESCC(C)CCCC1=CC(CCC(C)C)N=N1
InChIInChI=1S/C14H26N2/c1-11(2)6-5-7-13-10-14(16-15-13)9-8-12(3)4/h10-12,14H,5-9H2,1-4H3
InChIKeyPUQZHAOHYNACDX-UHFFFAOYSA-N
MW222.38 g/mol
LogP4.97
Rot. Bonds7

About 3-(3-methylbutyl)-5-(4-methylpentyl)-3H-pyrazole

3-(3-methylbutyl)-5-(4-methylpentyl)-3H-pyrazole (PubChem CID 155337274) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 3-(3-methylbutyl)-5-(4-methylpentyl)-3H-pyrazole.

Molecular Properties

Compound Name3-(3-methylbutyl)-5-(4-methylpentyl)-3H-pyrazole
PubChem CID155337274
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name3-(3-methylbutyl)-5-(4-methylpentyl)-3H-pyrazole
SMILESCC(C)CCCC1=CC(CCC(C)C)N=N1
InChIInChI=1S/C14H26N2/c1-11(2)6-5-7-13-10-14(16-15-13)9-8-12(3)4/h10-12,14H,5-9H2,1-4H3
InChIKeyPUQZHAOHYNACDX-UHFFFAOYSA-N
XLogP4.97
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbutyl)-5-(4-methylpentyl)-3H-pyrazole?
The IUPAC name of 3-(3-methylbutyl)-5-(4-methylpentyl)-3H-pyrazole (CID 155337274) is 3-(3-methylbutyl)-5-(4-methylpentyl)-3H-pyrazole.
What is the SMILES notation for 3-(3-methylbutyl)-5-(4-methylpentyl)-3H-pyrazole?
The canonical SMILES for 3-(3-methylbutyl)-5-(4-methylpentyl)-3H-pyrazole is CC(C)CCCC1=CC(CCC(C)C)N=N1.
What is the InChIKey of 3-(3-methylbutyl)-5-(4-methylpentyl)-3H-pyrazole?
The InChIKey is PUQZHAOHYNACDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-11(2)6-5-7-13-10-14(16-15-13)9-8-12(3)4/h10-12,14H,5-9H2,1-4H3.
What are the key properties of 3-(3-methylbutyl)-5-(4-methylpentyl)-3H-pyrazole?
3-(3-methylbutyl)-5-(4-methylpentyl)-3H-pyrazole has a molecular weight of 222.38 g/mol, XLogP of 4.97, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbutyl)-5-(4-methylpentyl)-3H-pyrazole is sourced from PubChem (CID 155337274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).