1-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]piperazine

C19H20ClN5 — CID 22037680

IUPAC1-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]piperazine
SMILESClc1ccc(-c2n[nH]c(CN3CCNCC3)c2-c2ccncc2)cc1
InChIInChI=1S/C19H20ClN5/c20-16-3-1-15(2-4-16)19-18(14-5-7-21-8-6-14)17(23-24-19)13-25-11-9-22-10-12-25/h1-8,22H,9-13H2,(H,23,24)
InChIKeyKDFWCDLZGLSXBI-UHFFFAOYSA-N
MW353.86 g/mol
LogP3.20
Rot. Bonds4

About 1-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]piperazine

1-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]piperazine (PubChem CID 22037680) has the molecular formula C19H20ClN5 and a molecular weight of 353.86 g/mol. Its IUPAC name is 1-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]piperazine.

Molecular Properties

Compound Name1-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]piperazine
PubChem CID22037680
Molecular FormulaC19H20ClN5
Molecular Weight353.86 g/mol
Exact Mass353.14
IUPAC Name1-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]piperazine
SMILESClc1ccc(-c2n[nH]c(CN3CCNCC3)c2-c2ccncc2)cc1
InChIInChI=1S/C19H20ClN5/c20-16-3-1-15(2-4-16)19-18(14-5-7-21-8-6-14)17(23-24-19)13-25-11-9-22-10-12-25/h1-8,22H,9-13H2,(H,23,24)
InChIKeyKDFWCDLZGLSXBI-UHFFFAOYSA-N
XLogP3.20
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.86
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]piperazine?
The IUPAC name of 1-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]piperazine (CID 22037680) is 1-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]piperazine.
What is the SMILES notation for 1-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]piperazine?
The canonical SMILES for 1-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]piperazine is Clc1ccc(-c2n[nH]c(CN3CCNCC3)c2-c2ccncc2)cc1.
What is the InChIKey of 1-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]piperazine?
The InChIKey is KDFWCDLZGLSXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5/c20-16-3-1-15(2-4-16)19-18(14-5-7-21-8-6-14)17(23-24-19)13-25-11-9-22-10-12-25/h1-8,22H,9-13H2,(H,23,24).
What are the key properties of 1-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]piperazine?
1-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]piperazine has a molecular weight of 353.86 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]piperazine is sourced from PubChem (CID 22037680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).