1-(4-benzylpiperazine-1-carbonyl)pyrazole-4-carbonitrile

C16H17N5O — CID 118526834

IUPAC1-(4-benzylpiperazine-1-carbonyl)pyrazole-4-carbonitrile
SMILESN#Cc1cnn(C(=O)N2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C16H17N5O/c17-10-15-11-18-21(13-15)16(22)20-8-6-19(7-9-20)12-14-4-2-1-3-5-14/h1-5,11,13H,6-9,12H2
InChIKeySFVIMXVIVZADHD-UHFFFAOYSA-N
MW295.35 g/mol
LogP1.54
Rot. Bonds2

About 1-(4-benzylpiperazine-1-carbonyl)pyrazole-4-carbonitrile

1-(4-benzylpiperazine-1-carbonyl)pyrazole-4-carbonitrile (PubChem CID 118526834) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 1-(4-benzylpiperazine-1-carbonyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name1-(4-benzylpiperazine-1-carbonyl)pyrazole-4-carbonitrile
PubChem CID118526834
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name1-(4-benzylpiperazine-1-carbonyl)pyrazole-4-carbonitrile
SMILESN#Cc1cnn(C(=O)N2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C16H17N5O/c17-10-15-11-18-21(13-15)16(22)20-8-6-19(7-9-20)12-14-4-2-1-3-5-14/h1-5,11,13H,6-9,12H2
InChIKeySFVIMXVIVZADHD-UHFFFAOYSA-N
XLogP1.54
TPSA65.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazine-1-carbonyl)pyrazole-4-carbonitrile?
The IUPAC name of 1-(4-benzylpiperazine-1-carbonyl)pyrazole-4-carbonitrile (CID 118526834) is 1-(4-benzylpiperazine-1-carbonyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 1-(4-benzylpiperazine-1-carbonyl)pyrazole-4-carbonitrile?
The canonical SMILES for 1-(4-benzylpiperazine-1-carbonyl)pyrazole-4-carbonitrile is N#Cc1cnn(C(=O)N2CCN(Cc3ccccc3)CC2)c1.
What is the InChIKey of 1-(4-benzylpiperazine-1-carbonyl)pyrazole-4-carbonitrile?
The InChIKey is SFVIMXVIVZADHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c17-10-15-11-18-21(13-15)16(22)20-8-6-19(7-9-20)12-14-4-2-1-3-5-14/h1-5,11,13H,6-9,12H2.
What are the key properties of 1-(4-benzylpiperazine-1-carbonyl)pyrazole-4-carbonitrile?
1-(4-benzylpiperazine-1-carbonyl)pyrazole-4-carbonitrile has a molecular weight of 295.35 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperazine-1-carbonyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 118526834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).