1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-methyl-3-phenylpyrazole-4-carbonitrile

C24H26ClN5 — CID 122189362

IUPAC1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-methyl-3-phenylpyrazole-4-carbonitrile
SMILESCc1c(C#N)c(-c2ccccc2)nn1CCCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C24H26ClN5/c1-19-23(18-26)24(20-7-3-2-4-8-20)27-30(19)12-6-11-28-13-15-29(16-14-28)22-10-5-9-21(25)17-22/h2-5,7-10,17H,6,11-16H2,1H3
InChIKeyIRPMMBYAHGHGIN-UHFFFAOYSA-N
MW419.96 g/mol
LogP4.60
Rot. Bonds6

About 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-methyl-3-phenylpyrazole-4-carbonitrile

1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-methyl-3-phenylpyrazole-4-carbonitrile (PubChem CID 122189362) has the molecular formula C24H26ClN5 and a molecular weight of 419.96 g/mol. Its IUPAC name is 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-methyl-3-phenylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-methyl-3-phenylpyrazole-4-carbonitrile
PubChem CID122189362
Molecular FormulaC24H26ClN5
Molecular Weight419.96 g/mol
Exact Mass419.19
IUPAC Name1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-methyl-3-phenylpyrazole-4-carbonitrile
SMILESCc1c(C#N)c(-c2ccccc2)nn1CCCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C24H26ClN5/c1-19-23(18-26)24(20-7-3-2-4-8-20)27-30(19)12-6-11-28-13-15-29(16-14-28)22-10-5-9-21(25)17-22/h2-5,7-10,17H,6,11-16H2,1H3
InChIKeyIRPMMBYAHGHGIN-UHFFFAOYSA-N
XLogP4.60
TPSA48.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.96
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Arylpyrazole, 12
CID 44143412
1-(3-Chloro-benzyl)-4-(3-methyl-4-phenyl-pyrazol-1-yl)-piperidine
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1-(3-Chloro-benzyl)-4-(5-methyl-4-phenyl-pyrazol-1-yl)-piperidine
CID 21219164
2-Chloro-4-[4-[2-(4-fluorophenyl)ethyl]-3,5-dimethylpyrazol-1-yl]benzonitrile
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1-((5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl)-4-(4-fluorophenyl)piperazine
CID 8440567
3-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-2-methyl-pyrazolo[1,5-a]pyridine-7-carbonitrile
CID 10361512
1-{[3-(3-chlorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-4-(2,6-dimethyl-4-pyridinyl)piperazine
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1-benzyl-4-{[3-(3-chlorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}piperazine
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CID 45267201
N-[[1-(3-chlorophenyl)-3-(o-tolyl)pyrazol-4-yl]methyl]-2-(4-methylpiperazin-1-yl)ethanamine
CID 72547293
4-[1-[(2S)-2-anilinopropyl]pyrazol-3-yl]-2-chlorobenzonitrile
CID 155536822
2-chloro-4-[N-ethyl-2-methyl-5-(2-methylpyrazol-3-yl)anilino]benzonitrile
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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-methyl-3-phenylpyrazole-4-carbonitrile?
The IUPAC name of 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-methyl-3-phenylpyrazole-4-carbonitrile (CID 122189362) is 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-methyl-3-phenylpyrazole-4-carbonitrile.
What is the SMILES notation for 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-methyl-3-phenylpyrazole-4-carbonitrile?
The canonical SMILES for 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-methyl-3-phenylpyrazole-4-carbonitrile is Cc1c(C#N)c(-c2ccccc2)nn1CCCN1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-methyl-3-phenylpyrazole-4-carbonitrile?
The InChIKey is IRPMMBYAHGHGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5/c1-19-23(18-26)24(20-7-3-2-4-8-20)27-30(19)12-6-11-28-13-15-29(16-14-28)22-10-5-9-21(25)17-22/h2-5,7-10,17H,6,11-16H2,1H3.
What are the key properties of 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-methyl-3-phenylpyrazole-4-carbonitrile?
1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-methyl-3-phenylpyrazole-4-carbonitrile has a molecular weight of 419.96 g/mol, XLogP of 4.60, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-methyl-3-phenylpyrazole-4-carbonitrile is sourced from PubChem (CID 122189362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).