3-(3-cyclobutyl-5-methyl-1H-pyrazol-4-yl)propanenitrile

C11H15N3 — CID 121212765

IUPAC3-(3-cyclobutyl-5-methyl-1H-pyrazol-4-yl)propanenitrile
SMILESCc1[nH]nc(C2CCC2)c1CCC#N
InChIInChI=1S/C11H15N3/c1-8-10(6-3-7-12)11(14-13-8)9-4-2-5-9/h9H,2-6H2,1H3,(H,13,14)
InChIKeyANTYGQOZTKLCDB-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.44
Rot. Bonds3

About 3-(3-cyclobutyl-5-methyl-1H-pyrazol-4-yl)propanenitrile

3-(3-cyclobutyl-5-methyl-1H-pyrazol-4-yl)propanenitrile (PubChem CID 121212765) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 3-(3-cyclobutyl-5-methyl-1H-pyrazol-4-yl)propanenitrile.

Molecular Properties

Compound Name3-(3-cyclobutyl-5-methyl-1H-pyrazol-4-yl)propanenitrile
PubChem CID121212765
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name3-(3-cyclobutyl-5-methyl-1H-pyrazol-4-yl)propanenitrile
SMILESCc1[nH]nc(C2CCC2)c1CCC#N
InChIInChI=1S/C11H15N3/c1-8-10(6-3-7-12)11(14-13-8)9-4-2-5-9/h9H,2-6H2,1H3,(H,13,14)
InChIKeyANTYGQOZTKLCDB-UHFFFAOYSA-N
XLogP2.44
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-cyclobutyl-5-ethyl-1H-pyrazol-4-yl)propanenitrile
CID 121212865
3-(3-cyclopropyl-5-ethyl-1H-pyrazol-4-yl)propanenitrile
CID 121212864
(3-cyclopentyl-5-methyl-1H-pyrazol-4-yl)methanol
CID 121212716
4-(chloromethyl)-3-cyclopentyl-5-methyl-1H-pyrazole
CID 121212728
4-(bromomethyl)-3-cyclopropyl-5-methyl-1H-pyrazole
CID 121211442
3-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)propanenitrile
CID 121212763
2-[3,5-di(cyclobutyl)-1H-pyrazol-4-yl]ethanamine
CID 121213156
3-(3,5-diethyl-1H-pyrazol-4-yl)propanenitrile
CID 121212862
3-[3,5-di(propan-2-yl)-1H-pyrazol-4-yl]propanenitrile
CID 121213114
3-(5-methyl-1H-pyrazol-4-yl)propanenitrile
CID 121212043
2-(3,5-dicyclopropyl-1H-pyrazol-4-yl)ethanol
CID 121213065
5-methyl-3-piperidin-4-yl-1H-pyrazol-4-amine
CID 165446837

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclobutyl-5-methyl-1H-pyrazol-4-yl)propanenitrile?
The IUPAC name of 3-(3-cyclobutyl-5-methyl-1H-pyrazol-4-yl)propanenitrile (CID 121212765) is 3-(3-cyclobutyl-5-methyl-1H-pyrazol-4-yl)propanenitrile.
What is the SMILES notation for 3-(3-cyclobutyl-5-methyl-1H-pyrazol-4-yl)propanenitrile?
The canonical SMILES for 3-(3-cyclobutyl-5-methyl-1H-pyrazol-4-yl)propanenitrile is Cc1[nH]nc(C2CCC2)c1CCC#N.
What is the InChIKey of 3-(3-cyclobutyl-5-methyl-1H-pyrazol-4-yl)propanenitrile?
The InChIKey is ANTYGQOZTKLCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-8-10(6-3-7-12)11(14-13-8)9-4-2-5-9/h9H,2-6H2,1H3,(H,13,14).
What are the key properties of 3-(3-cyclobutyl-5-methyl-1H-pyrazol-4-yl)propanenitrile?
3-(3-cyclobutyl-5-methyl-1H-pyrazol-4-yl)propanenitrile has a molecular weight of 189.26 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclobutyl-5-methyl-1H-pyrazol-4-yl)propanenitrile is sourced from PubChem (CID 121212765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).