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

C9H16N2 — CID 89419461

IUPAC5-(4-methylpentyl)-3H-pyrazole
SMILESCC(C)CCCC1=CCN=N1
InChIInChI=1S/C9H16N2/c1-8(2)4-3-5-9-6-7-10-11-9/h6,8H,3-5,7H2,1-2H3
InChIKeySPMISBLQOLKYIN-UHFFFAOYSA-N
MW152.24 g/mol
LogP3.16
Rot. Bonds4

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

5-(4-methylpentyl)-3H-pyrazole (PubChem CID 89419461) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 5-(4-methylpentyl)-3H-pyrazole.

Molecular Properties

Compound Name5-(4-methylpentyl)-3H-pyrazole
PubChem CID89419461
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name5-(4-methylpentyl)-3H-pyrazole
SMILESCC(C)CCCC1=CCN=N1
InChIInChI=1S/C9H16N2/c1-8(2)4-3-5-9-6-7-10-11-9/h6,8H,3-5,7H2,1-2H3
InChIKeySPMISBLQOLKYIN-UHFFFAOYSA-N
XLogP3.16
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpentyl)-3H-pyrazole?
The IUPAC name of 5-(4-methylpentyl)-3H-pyrazole (CID 89419461) is 5-(4-methylpentyl)-3H-pyrazole.
What is the SMILES notation for 5-(4-methylpentyl)-3H-pyrazole?
The canonical SMILES for 5-(4-methylpentyl)-3H-pyrazole is CC(C)CCCC1=CCN=N1.
What is the InChIKey of 5-(4-methylpentyl)-3H-pyrazole?
The InChIKey is SPMISBLQOLKYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-8(2)4-3-5-9-6-7-10-11-9/h6,8H,3-5,7H2,1-2H3.
What are the key properties of 5-(4-methylpentyl)-3H-pyrazole?
5-(4-methylpentyl)-3H-pyrazole has a molecular weight of 152.24 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpentyl)-3H-pyrazole is sourced from PubChem (CID 89419461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).