2-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-methylpropanenitrile

C14H23N5 — CID 63340140

IUPAC2-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-methylpropanenitrile
SMILESCCn1cc(CN2CCN(C(C)(C)C#N)CC2)cn1
InChIInChI=1S/C14H23N5/c1-4-19-11-13(9-16-19)10-17-5-7-18(8-6-17)14(2,3)12-15/h9,11H,4-8,10H2,1-3H3
InChIKeyADVJAVRLRFMMHN-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.32
Rot. Bonds4

About 2-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-methylpropanenitrile

2-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-methylpropanenitrile (PubChem CID 63340140) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-methylpropanenitrile
PubChem CID63340140
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name2-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-methylpropanenitrile
SMILESCCn1cc(CN2CCN(C(C)(C)C#N)CC2)cn1
InChIInChI=1S/C14H23N5/c1-4-19-11-13(9-16-19)10-17-5-7-18(8-6-17)14(2,3)12-15/h9,11H,4-8,10H2,1-3H3
InChIKeyADVJAVRLRFMMHN-UHFFFAOYSA-N
XLogP1.32
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 ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]ethanethioamide
CID 63336434
1-(2-chloroethyl)-4-[(1-ethylpyrazol-4-yl)methyl]-1,4-diazepane
CID 63388085
1-[(1-ethylpyrazol-4-yl)methyl]-4-methylpiperidin-4-ol
CID 81114923
2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]ethanamine
CID 62126920
3-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-methylpropan-1-amine
CID 55041230
4-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-fluorobenzonitrile
CID 170313554
3-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]pentan-1-amine
CID 62125988
3-(1-ethylpyrazol-4-yl)propanenitrile
CID 62128053
1-[(1-ethylpyrazol-4-yl)methyl]-4-(6-methylpyrazin-2-yl)-1,4-diazepane
CID 133470421
4-(chloromethyl)-1-[(1-ethylpyrazol-4-yl)methyl]pyrazole
CID 62730205
1,4-diethylpyrazole;ethane
CID 143641951
(1R)-1-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]pentan-1-ol
CID 95111652

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-methylpropanenitrile?
The IUPAC name of 2-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-methylpropanenitrile (CID 63340140) is 2-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-methylpropanenitrile.
What is the SMILES notation for 2-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-methylpropanenitrile?
The canonical SMILES for 2-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-methylpropanenitrile is CCn1cc(CN2CCN(C(C)(C)C#N)CC2)cn1.
What is the InChIKey of 2-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-methylpropanenitrile?
The InChIKey is ADVJAVRLRFMMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-4-19-11-13(9-16-19)10-17-5-7-18(8-6-17)14(2,3)12-15/h9,11H,4-8,10H2,1-3H3.
What are the key properties of 2-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-methylpropanenitrile?
2-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-methylpropanenitrile has a molecular weight of 261.37 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-methylpropanenitrile is sourced from PubChem (CID 63340140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).