3,5-bis(4-methylpentyl)-3H-pyrazole

C15H28N2 — CID 155337188

IUPAC3,5-bis(4-methylpentyl)-3H-pyrazole
SMILESCC(C)CCCC1=CC(CCCC(C)C)N=N1
InChIInChI=1S/C15H28N2/c1-12(2)7-5-9-14-11-15(17-16-14)10-6-8-13(3)4/h11-14H,5-10H2,1-4H3
InChIKeyDQEXALWKJGPCST-UHFFFAOYSA-N
MW236.40 g/mol
LogP5.36
Rot. Bonds8

About 3,5-bis(4-methylpentyl)-3H-pyrazole

3,5-bis(4-methylpentyl)-3H-pyrazole (PubChem CID 155337188) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 3,5-bis(4-methylpentyl)-3H-pyrazole.

Molecular Properties

Compound Name3,5-bis(4-methylpentyl)-3H-pyrazole
PubChem CID155337188
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name3,5-bis(4-methylpentyl)-3H-pyrazole
SMILESCC(C)CCCC1=CC(CCCC(C)C)N=N1
InChIInChI=1S/C15H28N2/c1-12(2)7-5-9-14-11-15(17-16-14)10-6-8-13(3)4/h11-14H,5-10H2,1-4H3
InChIKeyDQEXALWKJGPCST-UHFFFAOYSA-N
XLogP5.36
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.40
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(4-methylpentyl)-3H-pyrazole?
The IUPAC name of 3,5-bis(4-methylpentyl)-3H-pyrazole (CID 155337188) is 3,5-bis(4-methylpentyl)-3H-pyrazole.
What is the SMILES notation for 3,5-bis(4-methylpentyl)-3H-pyrazole?
The canonical SMILES for 3,5-bis(4-methylpentyl)-3H-pyrazole is CC(C)CCCC1=CC(CCCC(C)C)N=N1.
What is the InChIKey of 3,5-bis(4-methylpentyl)-3H-pyrazole?
The InChIKey is DQEXALWKJGPCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-12(2)7-5-9-14-11-15(17-16-14)10-6-8-13(3)4/h11-14H,5-10H2,1-4H3.
What are the key properties of 3,5-bis(4-methylpentyl)-3H-pyrazole?
3,5-bis(4-methylpentyl)-3H-pyrazole has a molecular weight of 236.40 g/mol, XLogP of 5.36, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(4-methylpentyl)-3H-pyrazole is sourced from PubChem (CID 155337188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).