1-(3-pyrazol-1-ylpentan-3-yl)pyrazole

C11H16N4 — CID 5045892

IUPAC1-(3-pyrazol-1-ylpentan-3-yl)pyrazole
SMILESCCC(CC)(n1cccn1)n1cccn1
InChIInChI=1S/C11H16N4/c1-3-11(4-2,14-9-5-7-12-14)15-10-6-8-13-15/h5-10H,3-4H2,1-2H3
InChIKeyIJEVKOQEOKVTQI-UHFFFAOYSA-N
MW204.28 g/mol
LogP2.10
Rot. Bonds4

About 1-(3-pyrazol-1-ylpentan-3-yl)pyrazole

1-(3-pyrazol-1-ylpentan-3-yl)pyrazole (PubChem CID 5045892) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 1-(3-pyrazol-1-ylpentan-3-yl)pyrazole.

Molecular Properties

Compound Name1-(3-pyrazol-1-ylpentan-3-yl)pyrazole
PubChem CID5045892
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name1-(3-pyrazol-1-ylpentan-3-yl)pyrazole
SMILESCCC(CC)(n1cccn1)n1cccn1
InChIInChI=1S/C11H16N4/c1-3-11(4-2,14-9-5-7-12-14)15-10-6-8-13-15/h5-10H,3-4H2,1-2H3
InChIKeyIJEVKOQEOKVTQI-UHFFFAOYSA-N
XLogP2.10
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,1'-Cyclopentylidenebis-1H-pyrazole
CID 853683
1-pyrazol-1-yl-N,N-bis(pyrazol-1-ylmethyl)methanamine
CID 361765
1H-Pyrazole, 1,1'-methylenebis-
CID 123422
Tris(1-pyrazolyl)methane
CID 5243808
1,2-di(1H-pyrazol-1-yl)ethane
CID 14195550
1,1'-propane-2,2-diylbis(1H-pyrazole)
CID 10921041
1,1'-Methylenebis(3-methyl-1H-pyrazole)
CID 15210309
1,1-Di(pyrazol-1-yl)cyclohexane
CID 591043
Bis(pyrazole-1-yl)ethane
CID 5245495
Di(1H-pyrazol-1-yl)methanone
CID 10464620
Di(pyrazol-1-yl)methanethione
CID 11182958
Pentamethylenepyrazole
CID 15909114

Frequently Asked Questions

What is the IUPAC name of 1-(3-pyrazol-1-ylpentan-3-yl)pyrazole?
The IUPAC name of 1-(3-pyrazol-1-ylpentan-3-yl)pyrazole (CID 5045892) is 1-(3-pyrazol-1-ylpentan-3-yl)pyrazole.
What is the SMILES notation for 1-(3-pyrazol-1-ylpentan-3-yl)pyrazole?
The canonical SMILES for 1-(3-pyrazol-1-ylpentan-3-yl)pyrazole is CCC(CC)(n1cccn1)n1cccn1.
What is the InChIKey of 1-(3-pyrazol-1-ylpentan-3-yl)pyrazole?
The InChIKey is IJEVKOQEOKVTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-3-11(4-2,14-9-5-7-12-14)15-10-6-8-13-15/h5-10H,3-4H2,1-2H3.
What are the key properties of 1-(3-pyrazol-1-ylpentan-3-yl)pyrazole?
1-(3-pyrazol-1-ylpentan-3-yl)pyrazole has a molecular weight of 204.28 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pyrazol-1-ylpentan-3-yl)pyrazole is sourced from PubChem (CID 5045892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).