2-(1,2-dimethyl-5-oxopyrazol-3-yl)acetonitrile

C7H9N3O — CID 83856700

IUPAC2-(1,2-dimethyl-5-oxopyrazol-3-yl)acetonitrile
SMILESCn1c(CC#N)cc(=O)n1C
InChIInChI=1S/C7H9N3O/c1-9-6(3-4-8)5-7(11)10(9)2/h5H,3H2,1-2H3
InChIKeyRKEPGKXJGZWWJU-UHFFFAOYSA-N
MW151.17 g/mol
LogP-0.21
Rot. Bonds1

About 2-(1,2-dimethyl-5-oxopyrazol-3-yl)acetonitrile

2-(1,2-dimethyl-5-oxopyrazol-3-yl)acetonitrile (PubChem CID 83856700) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 2-(1,2-dimethyl-5-oxopyrazol-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(1,2-dimethyl-5-oxopyrazol-3-yl)acetonitrile
PubChem CID83856700
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name2-(1,2-dimethyl-5-oxopyrazol-3-yl)acetonitrile
SMILESCn1c(CC#N)cc(=O)n1C
InChIInChI=1S/C7H9N3O/c1-9-6(3-4-8)5-7(11)10(9)2/h5H,3H2,1-2H3
InChIKeyRKEPGKXJGZWWJU-UHFFFAOYSA-N
XLogP-0.21
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 5-0.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dimethyl-5-oxopyrazol-3-yl)acetonitrile?
The IUPAC name of 2-(1,2-dimethyl-5-oxopyrazol-3-yl)acetonitrile (CID 83856700) is 2-(1,2-dimethyl-5-oxopyrazol-3-yl)acetonitrile.
What is the SMILES notation for 2-(1,2-dimethyl-5-oxopyrazol-3-yl)acetonitrile?
The canonical SMILES for 2-(1,2-dimethyl-5-oxopyrazol-3-yl)acetonitrile is Cn1c(CC#N)cc(=O)n1C.
What is the InChIKey of 2-(1,2-dimethyl-5-oxopyrazol-3-yl)acetonitrile?
The InChIKey is RKEPGKXJGZWWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c1-9-6(3-4-8)5-7(11)10(9)2/h5H,3H2,1-2H3.
What are the key properties of 2-(1,2-dimethyl-5-oxopyrazol-3-yl)acetonitrile?
2-(1,2-dimethyl-5-oxopyrazol-3-yl)acetonitrile has a molecular weight of 151.17 g/mol, XLogP of -0.21, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dimethyl-5-oxopyrazol-3-yl)acetonitrile is sourced from PubChem (CID 83856700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).