2-fluoro-6-[4-[2-(4-methylpyrazol-1-yl)acetyl]piperazin-1-yl]benzonitrile

C17H18FN5O — CID 95233026

IUPAC2-fluoro-6-[4-[2-(4-methylpyrazol-1-yl)acetyl]piperazin-1-yl]benzonitrile
SMILESCc1cnn(CC(=O)N2CCN(c3cccc(F)c3C#N)CC2)c1
InChIInChI=1S/C17H18FN5O/c1-13-10-20-23(11-13)12-17(24)22-7-5-21(6-8-22)16-4-2-3-15(18)14(16)9-19/h2-4,10-11H,5-8,12H2,1H3
InChIKeySFWSRXJVOGAMQX-UHFFFAOYSA-N
MW327.36 g/mol
LogP1.55
Rot. Bonds3

About 2-fluoro-6-[4-[2-(4-methylpyrazol-1-yl)acetyl]piperazin-1-yl]benzonitrile

2-fluoro-6-[4-[2-(4-methylpyrazol-1-yl)acetyl]piperazin-1-yl]benzonitrile (PubChem CID 95233026) has the molecular formula C17H18FN5O and a molecular weight of 327.36 g/mol. Its IUPAC name is 2-fluoro-6-[4-[2-(4-methylpyrazol-1-yl)acetyl]piperazin-1-yl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-[4-[2-(4-methylpyrazol-1-yl)acetyl]piperazin-1-yl]benzonitrile
PubChem CID95233026
Molecular FormulaC17H18FN5O
Molecular Weight327.36 g/mol
Exact Mass327.15
IUPAC Name2-fluoro-6-[4-[2-(4-methylpyrazol-1-yl)acetyl]piperazin-1-yl]benzonitrile
SMILESCc1cnn(CC(=O)N2CCN(c3cccc(F)c3C#N)CC2)c1
InChIInChI=1S/C17H18FN5O/c1-13-10-20-23(11-13)12-17(24)22-7-5-21(6-8-22)16-4-2-3-15(18)14(16)9-19/h2-4,10-11H,5-8,12H2,1H3
InChIKeySFWSRXJVOGAMQX-UHFFFAOYSA-N
XLogP1.55
TPSA65.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-(2-cyano-3-fluorophenyl)piperazine-1-carboxylate
CID 51111672
N-[1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]acetamide
CID 146135268
2-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-6-fluorobenzonitrile
CID 51245848
2-[4-[2-(1-ethylpyrazol-4-yl)ethyl]piperazin-1-yl]-6-fluorobenzonitrile
CID 122133310
N-carbamoyl-2-[4-(2-cyano-3-fluorophenyl)piperazin-1-yl]acetamide
CID 37121528
2-[4-[4-(4-chloro-3-methylphenoxy)butanoyl]piperazin-1-yl]-6-fluorobenzonitrile
CID 38619089
1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 19527668
3-[[4-(2-cyano-3-fluorophenyl)piperazine-1-carbonyl]amino]propanoic acid
CID 122019322
2-[4-[3-(1H-benzimidazol-2-yl)propanoyl]piperazin-1-yl]-6-fluorobenzonitrile
CID 38618108
1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methylpyrimidin-2-one
CID 132971329
2-fluoro-6-[4-[4-(5-methylpyrazol-1-yl)benzoyl]piperazin-1-yl]benzonitrile
CID 38617731
2-fluoro-6-[4-[3-(5-methyloxolan-2-yl)propanoyl]piperazin-1-yl]benzonitrile
CID 122150148

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[4-[2-(4-methylpyrazol-1-yl)acetyl]piperazin-1-yl]benzonitrile?
The IUPAC name of 2-fluoro-6-[4-[2-(4-methylpyrazol-1-yl)acetyl]piperazin-1-yl]benzonitrile (CID 95233026) is 2-fluoro-6-[4-[2-(4-methylpyrazol-1-yl)acetyl]piperazin-1-yl]benzonitrile.
What is the SMILES notation for 2-fluoro-6-[4-[2-(4-methylpyrazol-1-yl)acetyl]piperazin-1-yl]benzonitrile?
The canonical SMILES for 2-fluoro-6-[4-[2-(4-methylpyrazol-1-yl)acetyl]piperazin-1-yl]benzonitrile is Cc1cnn(CC(=O)N2CCN(c3cccc(F)c3C#N)CC2)c1.
What is the InChIKey of 2-fluoro-6-[4-[2-(4-methylpyrazol-1-yl)acetyl]piperazin-1-yl]benzonitrile?
The InChIKey is SFWSRXJVOGAMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O/c1-13-10-20-23(11-13)12-17(24)22-7-5-21(6-8-22)16-4-2-3-15(18)14(16)9-19/h2-4,10-11H,5-8,12H2,1H3.
What are the key properties of 2-fluoro-6-[4-[2-(4-methylpyrazol-1-yl)acetyl]piperazin-1-yl]benzonitrile?
2-fluoro-6-[4-[2-(4-methylpyrazol-1-yl)acetyl]piperazin-1-yl]benzonitrile has a molecular weight of 327.36 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[4-[2-(4-methylpyrazol-1-yl)acetyl]piperazin-1-yl]benzonitrile is sourced from PubChem (CID 95233026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).