3-(5-methyl-3-propan-2-ylpyrazol-1-yl)propanenitrile

C10H15N3 — CID 176666058

IUPAC3-(5-methyl-3-propan-2-ylpyrazol-1-yl)propanenitrile
SMILESCc1cc(C(C)C)nn1CCC#N
InChIInChI=1S/C10H15N3/c1-8(2)10-7-9(3)13(12-10)6-4-5-11/h7-8H,4,6H2,1-3H3
InChIKeyLNQFFPTVQDIDFJ-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.23
Rot. Bonds3

About 3-(5-methyl-3-propan-2-ylpyrazol-1-yl)propanenitrile

3-(5-methyl-3-propan-2-ylpyrazol-1-yl)propanenitrile (PubChem CID 176666058) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 3-(5-methyl-3-propan-2-ylpyrazol-1-yl)propanenitrile.

Molecular Properties

Compound Name3-(5-methyl-3-propan-2-ylpyrazol-1-yl)propanenitrile
PubChem CID176666058
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name3-(5-methyl-3-propan-2-ylpyrazol-1-yl)propanenitrile
SMILESCc1cc(C(C)C)nn1CCC#N
InChIInChI=1S/C10H15N3/c1-8(2)10-7-9(3)13(12-10)6-4-5-11/h7-8H,4,6H2,1-3H3
InChIKeyLNQFFPTVQDIDFJ-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-3-propan-2-ylpyrazol-1-yl)propanenitrile?
The IUPAC name of 3-(5-methyl-3-propan-2-ylpyrazol-1-yl)propanenitrile (CID 176666058) is 3-(5-methyl-3-propan-2-ylpyrazol-1-yl)propanenitrile.
What is the SMILES notation for 3-(5-methyl-3-propan-2-ylpyrazol-1-yl)propanenitrile?
The canonical SMILES for 3-(5-methyl-3-propan-2-ylpyrazol-1-yl)propanenitrile is Cc1cc(C(C)C)nn1CCC#N.
What is the InChIKey of 3-(5-methyl-3-propan-2-ylpyrazol-1-yl)propanenitrile?
The InChIKey is LNQFFPTVQDIDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-8(2)10-7-9(3)13(12-10)6-4-5-11/h7-8H,4,6H2,1-3H3.
What are the key properties of 3-(5-methyl-3-propan-2-ylpyrazol-1-yl)propanenitrile?
3-(5-methyl-3-propan-2-ylpyrazol-1-yl)propanenitrile has a molecular weight of 177.25 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-3-propan-2-ylpyrazol-1-yl)propanenitrile is sourced from PubChem (CID 176666058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).