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

C17H24ClN5 — CID 50948331

IUPAC1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-[(3-methyl-2-pyridinyl)methyl]piperazine
SMILESCc1cccnc1CN1CCN(Cc2c(C)nn(C)c2Cl)CC1
InChIInChI=1S/C17H24ClN5/c1-13-5-4-6-19-16(13)12-23-9-7-22(8-10-23)11-15-14(2)20-21(3)17(15)18/h4-6H,7-12H2,1-3H3
InChIKeyMGHLYLKYXMDCBV-UHFFFAOYSA-N
MW333.87 g/mol
LogP2.40
Rot. Bonds4

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

1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-[(3-methyl-2-pyridinyl)methyl]piperazine (PubChem CID 50948331) has the molecular formula C17H24ClN5 and a molecular weight of 333.87 g/mol. Its IUPAC name is 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-[(3-methyl-2-pyridinyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-[(3-methyl-2-pyridinyl)methyl]piperazine
PubChem CID50948331
Molecular FormulaC17H24ClN5
Molecular Weight333.87 g/mol
Exact Mass333.17
IUPAC Name1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-[(3-methyl-2-pyridinyl)methyl]piperazine
SMILESCc1cccnc1CN1CCN(Cc2c(C)nn(C)c2Cl)CC1
InChIInChI=1S/C17H24ClN5/c1-13-5-4-6-19-16(13)12-23-9-7-22(8-10-23)11-15-14(2)20-21(3)17(15)18/h4-6H,7-12H2,1-3H3
InChIKeyMGHLYLKYXMDCBV-UHFFFAOYSA-N
XLogP2.40
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.87
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]ethanol
CID 112550205
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,4-diazepane
CID 54918224
1,3-dimethyl-5-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyrazolo[5,4-d][1,3]thiazole
CID 72889738
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-(3-chlorophenyl)piperazine
CID 51326192
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazine
CID 43162347
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4,4-dimethylpiperidine
CID 55157463
2-[[4-(chloromethyl)piperidin-1-yl]methyl]-3-methylpyridine
CID 112651337
4-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]benzonitrile
CID 165433162
4-benzyl-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidine
CID 52551408
1-[(3-methyl-2-pyridinyl)methyl]-1,5-diazocane
CID 63306542
2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyridin-3-amine
CID 115982052
1-butan-2-yl-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazine
CID 55117785

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-[(3-methyl-2-pyridinyl)methyl]piperazine?
The IUPAC name of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-[(3-methyl-2-pyridinyl)methyl]piperazine (CID 50948331) is 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-[(3-methyl-2-pyridinyl)methyl]piperazine.
What is the SMILES notation for 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-[(3-methyl-2-pyridinyl)methyl]piperazine?
The canonical SMILES for 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-[(3-methyl-2-pyridinyl)methyl]piperazine is Cc1cccnc1CN1CCN(Cc2c(C)nn(C)c2Cl)CC1.
What is the InChIKey of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-[(3-methyl-2-pyridinyl)methyl]piperazine?
The InChIKey is MGHLYLKYXMDCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN5/c1-13-5-4-6-19-16(13)12-23-9-7-22(8-10-23)11-15-14(2)20-21(3)17(15)18/h4-6H,7-12H2,1-3H3.
What are the key properties of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-[(3-methyl-2-pyridinyl)methyl]piperazine?
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-[(3-methyl-2-pyridinyl)methyl]piperazine has a molecular weight of 333.87 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-[(3-methyl-2-pyridinyl)methyl]piperazine is sourced from PubChem (CID 50948331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).