2-methyl-2-[4-[2-(2-methylpyrazol-3-yl)ethyl]piperazin-1-yl]propanenitrile

C14H23N5 — CID 103002528

IUPAC2-methyl-2-[4-[2-(2-methylpyrazol-3-yl)ethyl]piperazin-1-yl]propanenitrile
SMILESCn1nccc1CCN1CCN(C(C)(C)C#N)CC1
InChIInChI=1S/C14H23N5/c1-14(2,12-15)19-10-8-18(9-11-19)7-5-13-4-6-16-17(13)3/h4,6H,5,7-11H2,1-3H3
InChIKeyCCXIETICYJNOQE-UHFFFAOYSA-N
MW261.37 g/mol
LogP0.88
Rot. Bonds4

About 2-methyl-2-[4-[2-(2-methylpyrazol-3-yl)ethyl]piperazin-1-yl]propanenitrile

2-methyl-2-[4-[2-(2-methylpyrazol-3-yl)ethyl]piperazin-1-yl]propanenitrile (PubChem CID 103002528) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-methyl-2-[4-[2-(2-methylpyrazol-3-yl)ethyl]piperazin-1-yl]propanenitrile.

Molecular Properties

Compound Name2-methyl-2-[4-[2-(2-methylpyrazol-3-yl)ethyl]piperazin-1-yl]propanenitrile
PubChem CID103002528
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name2-methyl-2-[4-[2-(2-methylpyrazol-3-yl)ethyl]piperazin-1-yl]propanenitrile
SMILESCn1nccc1CCN1CCN(C(C)(C)C#N)CC1
InChIInChI=1S/C14H23N5/c1-14(2,12-15)19-10-8-18(9-11-19)7-5-13-4-6-16-17(13)3/h4,6H,5,7-11H2,1-3H3
InChIKeyCCXIETICYJNOQE-UHFFFAOYSA-N
XLogP0.88
TPSA48.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-dimethyl-4-(2-methylpyrazol-3-yl)butanenitrile
CID 103017223
1-[2-(2-methylpyrazol-3-yl)ethyl]piperazine
CID 82606001
4-chloro-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine
CID 103015106
2-methyl-2-[4-(3-phenoxypropyl)piperazin-1-yl]propanenitrile
CID 63340060
2-cyano-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide
CID 104693712
1-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]ethanamine
CID 102999214
N-tert-butyl-4-(2-methylpyrazol-3-yl)butan-1-amine
CID 103014276
2-methyl-2-(4-pent-3-ynylpiperazin-1-yl)propanenitrile
CID 104807701
2-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propanenitrile
CID 112589445
2-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]acetic acid
CID 103004893
[4-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-3-yl]methanamine
CID 103005361
1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-3-amine
CID 102999239

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-[2-(2-methylpyrazol-3-yl)ethyl]piperazin-1-yl]propanenitrile?
The IUPAC name of 2-methyl-2-[4-[2-(2-methylpyrazol-3-yl)ethyl]piperazin-1-yl]propanenitrile (CID 103002528) is 2-methyl-2-[4-[2-(2-methylpyrazol-3-yl)ethyl]piperazin-1-yl]propanenitrile.
What is the SMILES notation for 2-methyl-2-[4-[2-(2-methylpyrazol-3-yl)ethyl]piperazin-1-yl]propanenitrile?
The canonical SMILES for 2-methyl-2-[4-[2-(2-methylpyrazol-3-yl)ethyl]piperazin-1-yl]propanenitrile is Cn1nccc1CCN1CCN(C(C)(C)C#N)CC1.
What is the InChIKey of 2-methyl-2-[4-[2-(2-methylpyrazol-3-yl)ethyl]piperazin-1-yl]propanenitrile?
The InChIKey is CCXIETICYJNOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-14(2,12-15)19-10-8-18(9-11-19)7-5-13-4-6-16-17(13)3/h4,6H,5,7-11H2,1-3H3.
What are the key properties of 2-methyl-2-[4-[2-(2-methylpyrazol-3-yl)ethyl]piperazin-1-yl]propanenitrile?
2-methyl-2-[4-[2-(2-methylpyrazol-3-yl)ethyl]piperazin-1-yl]propanenitrile has a molecular weight of 261.37 g/mol, XLogP of 0.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-[2-(2-methylpyrazol-3-yl)ethyl]piperazin-1-yl]propanenitrile is sourced from PubChem (CID 103002528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).