2-(1-phenylpyrazol-4-yl)-2-piperazin-1-ylacetonitrile

C15H17N5 — CID 43176136

IUPAC2-(1-phenylpyrazol-4-yl)-2-piperazin-1-ylacetonitrile
SMILESN#CC(c1cnn(-c2ccccc2)c1)N1CCNCC1
InChIInChI=1S/C15H17N5/c16-10-15(19-8-6-17-7-9-19)13-11-18-20(12-13)14-4-2-1-3-5-14/h1-5,11-12,15,17H,6-9H2
InChIKeyRQIJDGMDJXDKAP-UHFFFAOYSA-N
MW267.34 g/mol
LogP1.34
Rot. Bonds3

About 2-(1-phenylpyrazol-4-yl)-2-piperazin-1-ylacetonitrile

2-(1-phenylpyrazol-4-yl)-2-piperazin-1-ylacetonitrile (PubChem CID 43176136) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 2-(1-phenylpyrazol-4-yl)-2-piperazin-1-ylacetonitrile.

Molecular Properties

Compound Name2-(1-phenylpyrazol-4-yl)-2-piperazin-1-ylacetonitrile
PubChem CID43176136
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name2-(1-phenylpyrazol-4-yl)-2-piperazin-1-ylacetonitrile
SMILESN#CC(c1cnn(-c2ccccc2)c1)N1CCNCC1
InChIInChI=1S/C15H17N5/c16-10-15(19-8-6-17-7-9-19)13-11-18-20(12-13)14-4-2-1-3-5-14/h1-5,11-12,15,17H,6-9H2
InChIKeyRQIJDGMDJXDKAP-UHFFFAOYSA-N
XLogP1.34
TPSA56.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-phenylpyrazol-4-yl)-piperidin-4-ylmethanol
CID 43328996
3-methyl-1-[1-(1-phenylpyrazol-4-yl)ethyl]piperazine
CID 81471476
2,2-dimethyl-1-[1-(1-phenylpyrazol-4-yl)ethyl]piperazine
CID 81474419
(1-phenylpyrazol-4-yl)methanediol
CID 70397428
(2S)-2-piperazin-1-yl-2-thiophen-2-ylacetonitrile
CID 8893243
5-[1-(1-phenylpyrazol-4-yl)ethyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 81451490
2-[hydroxy-(1-phenylpyrazol-4-yl)methyl]pentanenitrile
CID 79412762
2-(3-hydroxypropoxy)-2-(1-phenylpyrazol-4-yl)acetonitrile
CID 103376511
2-(1-phenylpyrazol-4-yl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 61005442
2-(1-phenylpyrazol-4-yl)-1-piperazin-1-ylethanone
CID 119400257
4-[bromo(cyclopropyl)methyl]-1-phenylpyrazole
CID 61095952
N-[(R)-cyano-(1-phenylpyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide
CID 95237324

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylpyrazol-4-yl)-2-piperazin-1-ylacetonitrile?
The IUPAC name of 2-(1-phenylpyrazol-4-yl)-2-piperazin-1-ylacetonitrile (CID 43176136) is 2-(1-phenylpyrazol-4-yl)-2-piperazin-1-ylacetonitrile.
What is the SMILES notation for 2-(1-phenylpyrazol-4-yl)-2-piperazin-1-ylacetonitrile?
The canonical SMILES for 2-(1-phenylpyrazol-4-yl)-2-piperazin-1-ylacetonitrile is N#CC(c1cnn(-c2ccccc2)c1)N1CCNCC1.
What is the InChIKey of 2-(1-phenylpyrazol-4-yl)-2-piperazin-1-ylacetonitrile?
The InChIKey is RQIJDGMDJXDKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c16-10-15(19-8-6-17-7-9-19)13-11-18-20(12-13)14-4-2-1-3-5-14/h1-5,11-12,15,17H,6-9H2.
What are the key properties of 2-(1-phenylpyrazol-4-yl)-2-piperazin-1-ylacetonitrile?
2-(1-phenylpyrazol-4-yl)-2-piperazin-1-ylacetonitrile has a molecular weight of 267.34 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylpyrazol-4-yl)-2-piperazin-1-ylacetonitrile is sourced from PubChem (CID 43176136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).