5-[4-(2-cyanopropan-2-yl)piperazin-1-yl]-1,3-dimethylpyrazole-4-carbonitrile

C14H20N6 — CID 63756972

IUPAC5-[4-(2-cyanopropan-2-yl)piperazin-1-yl]-1,3-dimethylpyrazole-4-carbonitrile
SMILESCc1nn(C)c(N2CCN(C(C)(C)C#N)CC2)c1C#N
InChIInChI=1S/C14H20N6/c1-11-12(9-15)13(18(4)17-11)19-5-7-20(8-6-19)14(2,3)10-16/h5-8H2,1-4H3
InChIKeyLGCABEWIPTYARM-UHFFFAOYSA-N
MW272.36 g/mol
LogP1.02
Rot. Bonds2

About 5-[4-(2-cyanopropan-2-yl)piperazin-1-yl]-1,3-dimethylpyrazole-4-carbonitrile

5-[4-(2-cyanopropan-2-yl)piperazin-1-yl]-1,3-dimethylpyrazole-4-carbonitrile (PubChem CID 63756972) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is 5-[4-(2-cyanopropan-2-yl)piperazin-1-yl]-1,3-dimethylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-[4-(2-cyanopropan-2-yl)piperazin-1-yl]-1,3-dimethylpyrazole-4-carbonitrile
PubChem CID63756972
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC Name5-[4-(2-cyanopropan-2-yl)piperazin-1-yl]-1,3-dimethylpyrazole-4-carbonitrile
SMILESCc1nn(C)c(N2CCN(C(C)(C)C#N)CC2)c1C#N
InChIInChI=1S/C14H20N6/c1-11-12(9-15)13(18(4)17-11)19-5-7-20(8-6-19)14(2,3)10-16/h5-8H2,1-4H3
InChIKeyLGCABEWIPTYARM-UHFFFAOYSA-N
XLogP1.02
TPSA71.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-cyanopropan-2-yl)piperazin-1-yl]-1,3-dimethylpyrazole-4-carbonitrile?
The IUPAC name of 5-[4-(2-cyanopropan-2-yl)piperazin-1-yl]-1,3-dimethylpyrazole-4-carbonitrile (CID 63756972) is 5-[4-(2-cyanopropan-2-yl)piperazin-1-yl]-1,3-dimethylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-[4-(2-cyanopropan-2-yl)piperazin-1-yl]-1,3-dimethylpyrazole-4-carbonitrile?
The canonical SMILES for 5-[4-(2-cyanopropan-2-yl)piperazin-1-yl]-1,3-dimethylpyrazole-4-carbonitrile is Cc1nn(C)c(N2CCN(C(C)(C)C#N)CC2)c1C#N.
What is the InChIKey of 5-[4-(2-cyanopropan-2-yl)piperazin-1-yl]-1,3-dimethylpyrazole-4-carbonitrile?
The InChIKey is LGCABEWIPTYARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c1-11-12(9-15)13(18(4)17-11)19-5-7-20(8-6-19)14(2,3)10-16/h5-8H2,1-4H3.
What are the key properties of 5-[4-(2-cyanopropan-2-yl)piperazin-1-yl]-1,3-dimethylpyrazole-4-carbonitrile?
5-[4-(2-cyanopropan-2-yl)piperazin-1-yl]-1,3-dimethylpyrazole-4-carbonitrile has a molecular weight of 272.36 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-cyanopropan-2-yl)piperazin-1-yl]-1,3-dimethylpyrazole-4-carbonitrile is sourced from PubChem (CID 63756972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).