5,5-dimethyl-3-propan-2-yl-1,4-dihydropyrazole-4-carbonitrile

C9H15N3 — CID 71420363

IUPAC5,5-dimethyl-3-propan-2-yl-1,4-dihydropyrazole-4-carbonitrile
SMILESCC(C)C1=NNC(C)(C)C1C#N
InChIInChI=1S/C9H15N3/c1-6(2)8-7(5-10)9(3,4)12-11-8/h6-7,12H,1-4H3
InChIKeyOXFARRKGXICJNP-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.52
Rot. Bonds1

About 5,5-dimethyl-3-propan-2-yl-1,4-dihydropyrazole-4-carbonitrile

5,5-dimethyl-3-propan-2-yl-1,4-dihydropyrazole-4-carbonitrile (PubChem CID 71420363) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 5,5-dimethyl-3-propan-2-yl-1,4-dihydropyrazole-4-carbonitrile.

Molecular Properties

Compound Name5,5-dimethyl-3-propan-2-yl-1,4-dihydropyrazole-4-carbonitrile
PubChem CID71420363
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name5,5-dimethyl-3-propan-2-yl-1,4-dihydropyrazole-4-carbonitrile
SMILESCC(C)C1=NNC(C)(C)C1C#N
InChIInChI=1S/C9H15N3/c1-6(2)8-7(5-10)9(3,4)12-11-8/h6-7,12H,1-4H3
InChIKeyOXFARRKGXICJNP-UHFFFAOYSA-N
XLogP1.52
TPSA48.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-propan-2-yl-1,4-dihydropyrazole-4-carbonitrile?
The IUPAC name of 5,5-dimethyl-3-propan-2-yl-1,4-dihydropyrazole-4-carbonitrile (CID 71420363) is 5,5-dimethyl-3-propan-2-yl-1,4-dihydropyrazole-4-carbonitrile.
What is the SMILES notation for 5,5-dimethyl-3-propan-2-yl-1,4-dihydropyrazole-4-carbonitrile?
The canonical SMILES for 5,5-dimethyl-3-propan-2-yl-1,4-dihydropyrazole-4-carbonitrile is CC(C)C1=NNC(C)(C)C1C#N.
What is the InChIKey of 5,5-dimethyl-3-propan-2-yl-1,4-dihydropyrazole-4-carbonitrile?
The InChIKey is OXFARRKGXICJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-6(2)8-7(5-10)9(3,4)12-11-8/h6-7,12H,1-4H3.
What are the key properties of 5,5-dimethyl-3-propan-2-yl-1,4-dihydropyrazole-4-carbonitrile?
5,5-dimethyl-3-propan-2-yl-1,4-dihydropyrazole-4-carbonitrile has a molecular weight of 165.24 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-propan-2-yl-1,4-dihydropyrazole-4-carbonitrile is sourced from PubChem (CID 71420363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).