3-[[4-(3-methyl-4-phenylpyrazol-1-yl)piperidin-1-yl]methyl]benzonitrile

C23H24N4 — CID 21219176

IUPAC3-[[4-(3-methyl-4-phenylpyrazol-1-yl)piperidin-1-yl]methyl]benzonitrile
SMILESCc1nn(C2CCN(Cc3cccc(C#N)c3)CC2)cc1-c1ccccc1
InChIInChI=1S/C23H24N4/c1-18-23(21-8-3-2-4-9-21)17-27(25-18)22-10-12-26(13-11-22)16-20-7-5-6-19(14-20)15-24/h2-9,14,17,22H,10-13,16H2,1H3
InChIKeyRXSODUHUZZRAAV-UHFFFAOYSA-N
MW356.47 g/mol
LogP4.57
Rot. Bonds4

About 3-[[4-(3-methyl-4-phenylpyrazol-1-yl)piperidin-1-yl]methyl]benzonitrile

3-[[4-(3-methyl-4-phenylpyrazol-1-yl)piperidin-1-yl]methyl]benzonitrile (PubChem CID 21219176) has the molecular formula C23H24N4 and a molecular weight of 356.47 g/mol. Its IUPAC name is 3-[[4-(3-methyl-4-phenylpyrazol-1-yl)piperidin-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name3-[[4-(3-methyl-4-phenylpyrazol-1-yl)piperidin-1-yl]methyl]benzonitrile
PubChem CID21219176
Molecular FormulaC23H24N4
Molecular Weight356.47 g/mol
Exact Mass356.20
IUPAC Name3-[[4-(3-methyl-4-phenylpyrazol-1-yl)piperidin-1-yl]methyl]benzonitrile
SMILESCc1nn(C2CCN(Cc3cccc(C#N)c3)CC2)cc1-c1ccccc1
InChIInChI=1S/C23H24N4/c1-18-23(21-8-3-2-4-9-21)17-27(25-18)22-10-12-26(13-11-22)16-20-7-5-6-19(14-20)15-24/h2-9,14,17,22H,10-13,16H2,1H3
InChIKeyRXSODUHUZZRAAV-UHFFFAOYSA-N
XLogP4.57
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(3-methyl-4-phenylpyrazol-1-yl)piperidin-1-yl]methyl]benzonitrile?
The IUPAC name of 3-[[4-(3-methyl-4-phenylpyrazol-1-yl)piperidin-1-yl]methyl]benzonitrile (CID 21219176) is 3-[[4-(3-methyl-4-phenylpyrazol-1-yl)piperidin-1-yl]methyl]benzonitrile.
What is the SMILES notation for 3-[[4-(3-methyl-4-phenylpyrazol-1-yl)piperidin-1-yl]methyl]benzonitrile?
The canonical SMILES for 3-[[4-(3-methyl-4-phenylpyrazol-1-yl)piperidin-1-yl]methyl]benzonitrile is Cc1nn(C2CCN(Cc3cccc(C#N)c3)CC2)cc1-c1ccccc1.
What is the InChIKey of 3-[[4-(3-methyl-4-phenylpyrazol-1-yl)piperidin-1-yl]methyl]benzonitrile?
The InChIKey is RXSODUHUZZRAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4/c1-18-23(21-8-3-2-4-9-21)17-27(25-18)22-10-12-26(13-11-22)16-20-7-5-6-19(14-20)15-24/h2-9,14,17,22H,10-13,16H2,1H3.
What are the key properties of 3-[[4-(3-methyl-4-phenylpyrazol-1-yl)piperidin-1-yl]methyl]benzonitrile?
3-[[4-(3-methyl-4-phenylpyrazol-1-yl)piperidin-1-yl]methyl]benzonitrile has a molecular weight of 356.47 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(3-methyl-4-phenylpyrazol-1-yl)piperidin-1-yl]methyl]benzonitrile is sourced from PubChem (CID 21219176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).