2-[4-[2-(1-methylpyrazol-4-yl)ethyl]piperazin-1-yl]pentanenitrile

C15H25N5 — CID 103002523

IUPAC2-[4-[2-(1-methylpyrazol-4-yl)ethyl]piperazin-1-yl]pentanenitrile
SMILESCCCC(C#N)N1CCN(CCc2cnn(C)c2)CC1
InChIInChI=1S/C15H25N5/c1-3-4-15(11-16)20-9-7-19(8-10-20)6-5-14-12-17-18(2)13-14/h12-13,15H,3-10H2,1-2H3
InChIKeyMLOBWDXFUGQYPX-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.27
Rot. Bonds6

About 2-[4-[2-(1-methylpyrazol-4-yl)ethyl]piperazin-1-yl]pentanenitrile

2-[4-[2-(1-methylpyrazol-4-yl)ethyl]piperazin-1-yl]pentanenitrile (PubChem CID 103002523) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-[4-[2-(1-methylpyrazol-4-yl)ethyl]piperazin-1-yl]pentanenitrile.

Molecular Properties

Compound Name2-[4-[2-(1-methylpyrazol-4-yl)ethyl]piperazin-1-yl]pentanenitrile
PubChem CID103002523
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC Name2-[4-[2-(1-methylpyrazol-4-yl)ethyl]piperazin-1-yl]pentanenitrile
SMILESCCCC(C#N)N1CCN(CCc2cnn(C)c2)CC1
InChIInChI=1S/C15H25N5/c1-3-4-15(11-16)20-9-7-19(8-10-20)6-5-14-12-17-18(2)13-14/h12-13,15H,3-10H2,1-2H3
InChIKeyMLOBWDXFUGQYPX-UHFFFAOYSA-N
XLogP1.27
TPSA48.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[2-(1-methylimidazol-2-yl)ethyl]piperazin-1-yl]pentanenitrile
CID 114527876
2-(chloromethyl)-4-(1-methylpyrazol-4-yl)butanenitrile
CID 103015098
1-methyl-4-propylpyrazole;propane
CID 155742221
3-[4-(1-cyanobutyl)piperazin-1-yl]-N-methylpropanamide
CID 63340023
4-bromo-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine
CID 103015270
1-[1-(3-methoxyphenyl)ethyl]-4-[2-(1-methylpyrazol-4-yl)ethyl]piperazine
CID 122142087
3-[4-[2-(1-methylpyrazol-4-yl)ethyl]-1,4-diazepan-1-yl]propan-1-amine
CID 103000108
1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propyl-1,4-diazepane
CID 103016702
2-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pentanethioamide
CID 63341675
2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]pentanenitrile
CID 63339768
(2R)-2-[[(3R)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methyl]pentanedinitrile
CID 96524376
(2S)-2-[[(3R)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methyl]pentanedinitrile
CID 100860920

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(1-methylpyrazol-4-yl)ethyl]piperazin-1-yl]pentanenitrile?
The IUPAC name of 2-[4-[2-(1-methylpyrazol-4-yl)ethyl]piperazin-1-yl]pentanenitrile (CID 103002523) is 2-[4-[2-(1-methylpyrazol-4-yl)ethyl]piperazin-1-yl]pentanenitrile.
What is the SMILES notation for 2-[4-[2-(1-methylpyrazol-4-yl)ethyl]piperazin-1-yl]pentanenitrile?
The canonical SMILES for 2-[4-[2-(1-methylpyrazol-4-yl)ethyl]piperazin-1-yl]pentanenitrile is CCCC(C#N)N1CCN(CCc2cnn(C)c2)CC1.
What is the InChIKey of 2-[4-[2-(1-methylpyrazol-4-yl)ethyl]piperazin-1-yl]pentanenitrile?
The InChIKey is MLOBWDXFUGQYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5/c1-3-4-15(11-16)20-9-7-19(8-10-20)6-5-14-12-17-18(2)13-14/h12-13,15H,3-10H2,1-2H3.
What are the key properties of 2-[4-[2-(1-methylpyrazol-4-yl)ethyl]piperazin-1-yl]pentanenitrile?
2-[4-[2-(1-methylpyrazol-4-yl)ethyl]piperazin-1-yl]pentanenitrile has a molecular weight of 275.40 g/mol, XLogP of 1.27, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(1-methylpyrazol-4-yl)ethyl]piperazin-1-yl]pentanenitrile is sourced from PubChem (CID 103002523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).