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

C12H19N5 — CID 82867144

IUPAC2-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]propanenitrile
SMILESCC(C#N)N1CCN(Cc2ccn(C)n2)CC1
InChIInChI=1S/C12H19N5/c1-11(9-13)17-7-5-16(6-8-17)10-12-3-4-15(2)14-12/h3-4,11H,5-8,10H2,1-2H3
InChIKeyUMJGYOWWLIWTSB-UHFFFAOYSA-N
MW233.32 g/mol
LogP0.45
Rot. Bonds3

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

2-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]propanenitrile (PubChem CID 82867144) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 2-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]propanenitrile.

Molecular Properties

Compound Name2-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]propanenitrile
PubChem CID82867144
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name2-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]propanenitrile
SMILESCC(C#N)N1CCN(Cc2ccn(C)n2)CC1
InChIInChI=1S/C12H19N5/c1-11(9-13)17-7-5-16(6-8-17)10-12-3-4-15(2)14-12/h3-4,11H,5-8,10H2,1-2H3
InChIKeyUMJGYOWWLIWTSB-UHFFFAOYSA-N
XLogP0.45
TPSA48.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]propanenitrile
CID 63984499
4-(1-bromoethyl)-1-[(1-methylpyrazol-3-yl)methyl]piperidine
CID 106838232
4-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]butan-1-amine
CID 82866697
4-bromo-1-[(1-methylpyrazol-3-yl)methyl]piperidine
CID 82871323
N-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-amine
CID 82866663
N-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-ylidene]hydroxylamine
CID 82865579
2-[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]propanenitrile
CID 55201201
2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propanenitrile
CID 60647650
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]propanenitrile
CID 60646822
2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]propanenitrile
CID 63338729
1-[(1-methylpyrazol-3-yl)methyl]-3-propylazetidin-3-amine
CID 82871073
2-[4-[(1-butan-2-ylpyrazol-3-yl)methyl]piperazin-1-yl]propanoic acid
CID 64785581

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]propanenitrile?
The IUPAC name of 2-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]propanenitrile (CID 82867144) is 2-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]propanenitrile.
What is the SMILES notation for 2-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]propanenitrile?
The canonical SMILES for 2-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]propanenitrile is CC(C#N)N1CCN(Cc2ccn(C)n2)CC1.
What is the InChIKey of 2-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]propanenitrile?
The InChIKey is UMJGYOWWLIWTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-11(9-13)17-7-5-16(6-8-17)10-12-3-4-15(2)14-12/h3-4,11H,5-8,10H2,1-2H3.
What are the key properties of 2-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]propanenitrile?
2-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]propanenitrile has a molecular weight of 233.32 g/mol, XLogP of 0.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]propanenitrile is sourced from PubChem (CID 82867144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).