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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Related Compounds

3-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-N,N-dimethylpropan-1-amine
CID 141026666
2-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methoxy]ethyl-trimethylsilane
CID 69370736
6-chloro-3-(piperazin-1-ylmethyl)-2-pyridin-4-ylimidazo[1,2-a]pyridine
CID 39148253
4-[3-(4-chlorophenyl)-5-(4-fluoro-1,2,2-trimethylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine
CID 22953817
1-[[4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrol-2-yl]methyl]piperazine
CID 59988445
2-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]ethanamine
CID 22953668
2-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-4-methylmorpholine
CID 22037209
4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]-1-methylpiperidin-2-one
CID 22953866
3-(piperazin-1-ylmethyl)-2H-pyrazolo[4,3-c]pyridine
CID 84682992
4-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]benzenecarboximidamide
CID 22953876
3-(4-chlorophenyl)-5-(piperazin-1-ylmethyl)-1,2-oxazole
CID 94700421
4-[3-(4-chlorophenyl)-5-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine
CID 22037702

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).