3-(3,5-dimethylpyrazol-1-yl)pentanenitrile

C10H15N3 — CID 43367601

IUPAC3-(3,5-dimethylpyrazol-1-yl)pentanenitrile
SMILESCCC(CC#N)n1nc(C)cc1C
InChIInChI=1S/C10H15N3/c1-4-10(5-6-11)13-9(3)7-8(2)12-13/h7,10H,4-5H2,1-3H3
InChIKeyCROKHGOPFRZKHE-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.36
Rot. Bonds3

About 3-(3,5-dimethylpyrazol-1-yl)pentanenitrile

3-(3,5-dimethylpyrazol-1-yl)pentanenitrile (PubChem CID 43367601) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)pentanenitrile.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)pentanenitrile
PubChem CID43367601
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)pentanenitrile
SMILESCCC(CC#N)n1nc(C)cc1C
InChIInChI=1S/C10H15N3/c1-4-10(5-6-11)13-9(3)7-8(2)12-13/h7,10H,4-5H2,1-3H3
InChIKeyCROKHGOPFRZKHE-UHFFFAOYSA-N
XLogP2.36
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)pentanenitrile?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)pentanenitrile (CID 43367601) is 3-(3,5-dimethylpyrazol-1-yl)pentanenitrile.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)pentanenitrile?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)pentanenitrile is CCC(CC#N)n1nc(C)cc1C.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)pentanenitrile?
The InChIKey is CROKHGOPFRZKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-4-10(5-6-11)13-9(3)7-8(2)12-13/h7,10H,4-5H2,1-3H3.
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)pentanenitrile?
3-(3,5-dimethylpyrazol-1-yl)pentanenitrile has a molecular weight of 177.25 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)pentanenitrile is sourced from PubChem (CID 43367601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).