1-(5-chloro-2-pyridinyl)-4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperazine

C21H24ClN5 — CID 26394276

IUPAC1-(5-chloro-2-pyridinyl)-4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperazine
SMILESCc1ccc(-c2[nH]ncc2CN2CCN(c3ccc(Cl)cn3)CC2)cc1C
InChIInChI=1S/C21H24ClN5/c1-15-3-4-17(11-16(15)2)21-18(12-24-25-21)14-26-7-9-27(10-8-26)20-6-5-19(22)13-23-20/h3-6,11-13H,7-10,14H2,1-2H3,(H,24,25)
InChIKeyQMLDTKPTZLUZKE-UHFFFAOYSA-N
MW381.91 g/mol
LogP4.06
Rot. Bonds4

About 1-(5-chloro-2-pyridinyl)-4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperazine

1-(5-chloro-2-pyridinyl)-4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperazine (PubChem CID 26394276) has the molecular formula C21H24ClN5 and a molecular weight of 381.91 g/mol. Its IUPAC name is 1-(5-chloro-2-pyridinyl)-4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperazine.

Molecular Properties

Compound Name1-(5-chloro-2-pyridinyl)-4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperazine
PubChem CID26394276
Molecular FormulaC21H24ClN5
Molecular Weight381.91 g/mol
Exact Mass381.17
IUPAC Name1-(5-chloro-2-pyridinyl)-4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperazine
SMILESCc1ccc(-c2[nH]ncc2CN2CCN(c3ccc(Cl)cn3)CC2)cc1C
InChIInChI=1S/C21H24ClN5/c1-15-3-4-17(11-16(15)2)21-18(12-24-25-21)14-26-7-9-27(10-8-26)20-6-5-19(22)13-23-20/h3-6,11-13H,7-10,14H2,1-2H3,(H,24,25)
InChIKeyQMLDTKPTZLUZKE-UHFFFAOYSA-N
XLogP4.06
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.91
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-2-pyridinyl)-4-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperazine
CID 56713825
1-(5-chloro-2-pyridinyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine
CID 24864479
1-[4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]ethanone
CID 74229930
ethyl 4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperazine-1-carboxylate
CID 25285258
[4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 24793141
1-(4-chlorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine
CID 24865204
1-(4-chloro-2-fluorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine
CID 24865743
1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-(2-methoxyphenoxy)piperidine
CID 26391879
6-[4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]pyridine-3-carboxamide
CID 24864837
1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-4-(3,5-dimethylpyrazol-1-yl)piperidine
CID 46981268
1-(5-chloro-2-pyridinyl)-4-[2-(4-methyl-3-pentylphenyl)ethyl]piperazine;hydrochloride
CID 44553412
3-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 19958504

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-pyridinyl)-4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperazine?
The IUPAC name of 1-(5-chloro-2-pyridinyl)-4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperazine (CID 26394276) is 1-(5-chloro-2-pyridinyl)-4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperazine.
What is the SMILES notation for 1-(5-chloro-2-pyridinyl)-4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperazine?
The canonical SMILES for 1-(5-chloro-2-pyridinyl)-4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperazine is Cc1ccc(-c2[nH]ncc2CN2CCN(c3ccc(Cl)cn3)CC2)cc1C.
What is the InChIKey of 1-(5-chloro-2-pyridinyl)-4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperazine?
The InChIKey is QMLDTKPTZLUZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN5/c1-15-3-4-17(11-16(15)2)21-18(12-24-25-21)14-26-7-9-27(10-8-26)20-6-5-19(22)13-23-20/h3-6,11-13H,7-10,14H2,1-2H3,(H,24,25).
What are the key properties of 1-(5-chloro-2-pyridinyl)-4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperazine?
1-(5-chloro-2-pyridinyl)-4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperazine has a molecular weight of 381.91 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-pyridinyl)-4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperazine is sourced from PubChem (CID 26394276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).