4-(3-piperazin-1-ylpyrazol-1-yl)benzonitrile

C14H15N5 — CID 129139549

IUPAC4-(3-piperazin-1-ylpyrazol-1-yl)benzonitrile
SMILESN#Cc1ccc(-n2ccc(N3CCNCC3)n2)cc1
InChIInChI=1S/C14H15N5/c15-11-12-1-3-13(4-2-12)19-8-5-14(17-19)18-9-6-16-7-10-18/h1-5,8,16H,6-7,9-10H2
InChIKeyMGLTZAIKUDLNTH-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.15
Rot. Bonds2

About 4-(3-piperazin-1-ylpyrazol-1-yl)benzonitrile

4-(3-piperazin-1-ylpyrazol-1-yl)benzonitrile (PubChem CID 129139549) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 4-(3-piperazin-1-ylpyrazol-1-yl)benzonitrile.

Molecular Properties

Compound Name4-(3-piperazin-1-ylpyrazol-1-yl)benzonitrile
PubChem CID129139549
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name4-(3-piperazin-1-ylpyrazol-1-yl)benzonitrile
SMILESN#Cc1ccc(-n2ccc(N3CCNCC3)n2)cc1
InChIInChI=1S/C14H15N5/c15-11-12-1-3-13(4-2-12)19-8-5-14(17-19)18-9-6-16-7-10-18/h1-5,8,16H,6-7,9-10H2
InChIKeyMGLTZAIKUDLNTH-UHFFFAOYSA-N
XLogP1.15
TPSA56.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-aminopyrazol-1-yl)benzonitrile;4-(3-piperazin-1-ylpyrazol-1-yl)benzonitrile
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4-(3-formylpyrazol-1-yl)benzonitrile
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4-(3,9-diazaspiro[5.5]undecan-3-yl)benzonitrile
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4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]benzonitrile
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4-[3-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]benzonitrile
CID 135066075
4-(3-pyridin-3-ylpyrazol-1-yl)benzonitrile
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1-(1-benzylpyrazol-3-yl)piperazine
CID 126655369
6-piperazin-1-ylpyrimidine-4-carbonitrile
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6-piperazin-1-ylpyrazine-2-carbonitrile
CID 90674675
4-(1,1-dioxo-1,2,5-thiadiazocan-2-yl)benzonitrile
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Frequently Asked Questions

What is the IUPAC name of 4-(3-piperazin-1-ylpyrazol-1-yl)benzonitrile?
The IUPAC name of 4-(3-piperazin-1-ylpyrazol-1-yl)benzonitrile (CID 129139549) is 4-(3-piperazin-1-ylpyrazol-1-yl)benzonitrile.
What is the SMILES notation for 4-(3-piperazin-1-ylpyrazol-1-yl)benzonitrile?
The canonical SMILES for 4-(3-piperazin-1-ylpyrazol-1-yl)benzonitrile is N#Cc1ccc(-n2ccc(N3CCNCC3)n2)cc1.
What is the InChIKey of 4-(3-piperazin-1-ylpyrazol-1-yl)benzonitrile?
The InChIKey is MGLTZAIKUDLNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c15-11-12-1-3-13(4-2-12)19-8-5-14(17-19)18-9-6-16-7-10-18/h1-5,8,16H,6-7,9-10H2.
What are the key properties of 4-(3-piperazin-1-ylpyrazol-1-yl)benzonitrile?
4-(3-piperazin-1-ylpyrazol-1-yl)benzonitrile has a molecular weight of 253.31 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-piperazin-1-ylpyrazol-1-yl)benzonitrile is sourced from PubChem (CID 129139549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).