2-[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]-2-methylpropanenitrile

C14H21N5O — CID 66128825

IUPAC2-[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]-2-methylpropanenitrile
SMILESCc1cc(C(=O)N2CCN(C(C)(C)C#N)CC2)n(C)n1
InChIInChI=1S/C14H21N5O/c1-11-9-12(17(4)16-11)13(20)18-5-7-19(8-6-18)14(2,3)10-15/h9H,5-8H2,1-4H3
InChIKeyGAIKXSOQYCHHEW-UHFFFAOYSA-N
MW275.36 g/mol
LogP0.79
Rot. Bonds2

About 2-[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]-2-methylpropanenitrile

2-[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]-2-methylpropanenitrile (PubChem CID 66128825) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 2-[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]-2-methylpropanenitrile
PubChem CID66128825
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name2-[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]-2-methylpropanenitrile
SMILESCc1cc(C(=O)N2CCN(C(C)(C)C#N)CC2)n(C)n1
InChIInChI=1S/C14H21N5O/c1-11-9-12(17(4)16-11)13(20)18-5-7-19(8-6-18)14(2,3)10-15/h9H,5-8H2,1-4H3
InChIKeyGAIKXSOQYCHHEW-UHFFFAOYSA-N
XLogP0.79
TPSA65.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]ethanone
CID 110685852
2-[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]acetonitrile
CID 66128615
(2,5-dimethylpyrazol-3-yl)-piperazin-1-ylmethanone;hydrochloride
CID 119402592
[4-(2-aminoethyl)piperazin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone
CID 66129011
[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 70768505
2-methyl-2-[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]propanenitrile
CID 60692955
(2,5-dimethylpyrazol-3-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 66126872
(3,5-dimethylpiperidin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone
CID 56725204
(2,5-dimethylpyrazol-3-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 66127135
2-[4-(3,4-dihydroxybenzoyl)piperazin-1-yl]-2-methylpropanenitrile
CID 107728338
(4-benzylpiperazin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone
CID 59382180
2-methyl-2-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]propanenitrile
CID 60692988

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]-2-methylpropanenitrile?
The IUPAC name of 2-[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]-2-methylpropanenitrile (CID 66128825) is 2-[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]-2-methylpropanenitrile.
What is the SMILES notation for 2-[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]-2-methylpropanenitrile?
The canonical SMILES for 2-[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]-2-methylpropanenitrile is Cc1cc(C(=O)N2CCN(C(C)(C)C#N)CC2)n(C)n1.
What is the InChIKey of 2-[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]-2-methylpropanenitrile?
The InChIKey is GAIKXSOQYCHHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-11-9-12(17(4)16-11)13(20)18-5-7-19(8-6-18)14(2,3)10-15/h9H,5-8H2,1-4H3.
What are the key properties of 2-[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]-2-methylpropanenitrile?
2-[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]-2-methylpropanenitrile has a molecular weight of 275.36 g/mol, XLogP of 0.79, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]-2-methylpropanenitrile is sourced from PubChem (CID 66128825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).