4-[4-[4-(4-chlorophenyl)piperidin-4-yl]phenyl]-1H-pyrazole-5-carbonitrile

C21H19ClN4 — CID 11152690

IUPAC4-[4-[4-(4-chlorophenyl)piperidin-4-yl]phenyl]-1H-pyrazole-5-carbonitrile
SMILESN#Cc1[nH]ncc1-c1ccc(C2(c3ccc(Cl)cc3)CCNCC2)cc1
InChIInChI=1S/C21H19ClN4/c22-18-7-5-17(6-8-18)21(9-11-24-12-10-21)16-3-1-15(2-4-16)19-14-25-26-20(19)13-23/h1-8,14,24H,9-12H2,(H,25,26)
InChIKeyHQMWZYTXIFWKPY-UHFFFAOYSA-N
MW362.86 g/mol
LogP4.27
Rot. Bonds3

About 4-[4-[4-(4-chlorophenyl)piperidin-4-yl]phenyl]-1H-pyrazole-5-carbonitrile

4-[4-[4-(4-chlorophenyl)piperidin-4-yl]phenyl]-1H-pyrazole-5-carbonitrile (PubChem CID 11152690) has the molecular formula C21H19ClN4 and a molecular weight of 362.86 g/mol. Its IUPAC name is 4-[4-[4-(4-chlorophenyl)piperidin-4-yl]phenyl]-1H-pyrazole-5-carbonitrile.

Molecular Properties

Compound Name4-[4-[4-(4-chlorophenyl)piperidin-4-yl]phenyl]-1H-pyrazole-5-carbonitrile
PubChem CID11152690
Molecular FormulaC21H19ClN4
Molecular Weight362.86 g/mol
Exact Mass362.13
IUPAC Name4-[4-[4-(4-chlorophenyl)piperidin-4-yl]phenyl]-1H-pyrazole-5-carbonitrile
SMILESN#Cc1[nH]ncc1-c1ccc(C2(c3ccc(Cl)cc3)CCNCC2)cc1
InChIInChI=1S/C21H19ClN4/c22-18-7-5-17(6-8-18)21(9-11-24-12-10-21)16-3-1-15(2-4-16)19-14-25-26-20(19)13-23/h1-8,14,24H,9-12H2,(H,25,26)
InChIKeyHQMWZYTXIFWKPY-UHFFFAOYSA-N
XLogP4.27
TPSA64.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(4-chlorophenyl)piperidin-4-yl]phenyl]-1H-pyrazole-5-carbonitrile?
The IUPAC name of 4-[4-[4-(4-chlorophenyl)piperidin-4-yl]phenyl]-1H-pyrazole-5-carbonitrile (CID 11152690) is 4-[4-[4-(4-chlorophenyl)piperidin-4-yl]phenyl]-1H-pyrazole-5-carbonitrile.
What is the SMILES notation for 4-[4-[4-(4-chlorophenyl)piperidin-4-yl]phenyl]-1H-pyrazole-5-carbonitrile?
The canonical SMILES for 4-[4-[4-(4-chlorophenyl)piperidin-4-yl]phenyl]-1H-pyrazole-5-carbonitrile is N#Cc1[nH]ncc1-c1ccc(C2(c3ccc(Cl)cc3)CCNCC2)cc1.
What is the InChIKey of 4-[4-[4-(4-chlorophenyl)piperidin-4-yl]phenyl]-1H-pyrazole-5-carbonitrile?
The InChIKey is HQMWZYTXIFWKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4/c22-18-7-5-17(6-8-18)21(9-11-24-12-10-21)16-3-1-15(2-4-16)19-14-25-26-20(19)13-23/h1-8,14,24H,9-12H2,(H,25,26).
What are the key properties of 4-[4-[4-(4-chlorophenyl)piperidin-4-yl]phenyl]-1H-pyrazole-5-carbonitrile?
4-[4-[4-(4-chlorophenyl)piperidin-4-yl]phenyl]-1H-pyrazole-5-carbonitrile has a molecular weight of 362.86 g/mol, XLogP of 4.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(4-chlorophenyl)piperidin-4-yl]phenyl]-1H-pyrazole-5-carbonitrile is sourced from PubChem (CID 11152690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).