1-[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]-N-piperidin-1-ylmethanimine

C16H18Cl2N4 — CID 23737698

IUPAC1-[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]-N-piperidin-1-ylmethanimine
SMILESCc1nn(-c2ccccc2Cl)c(Cl)c1C=NN1CCCCC1
InChIInChI=1S/C16H18Cl2N4/c1-12-13(11-19-21-9-5-2-6-10-21)16(18)22(20-12)15-8-4-3-7-14(15)17/h3-4,7-8,11H,2,5-6,9-10H2,1H3
InChIKeyLCQSBDYZYBOHIB-UHFFFAOYSA-N
MW337.25 g/mol
LogP4.31
Rot. Bonds3

About 1-[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]-N-piperidin-1-ylmethanimine

1-[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]-N-piperidin-1-ylmethanimine (PubChem CID 23737698) has the molecular formula C16H18Cl2N4 and a molecular weight of 337.25 g/mol. Its IUPAC name is 1-[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]-N-piperidin-1-ylmethanimine.

Molecular Properties

Compound Name1-[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]-N-piperidin-1-ylmethanimine
PubChem CID23737698
Molecular FormulaC16H18Cl2N4
Molecular Weight337.25 g/mol
Exact Mass336.09
IUPAC Name1-[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]-N-piperidin-1-ylmethanimine
SMILESCc1nn(-c2ccccc2Cl)c(Cl)c1C=NN1CCCCC1
InChIInChI=1S/C16H18Cl2N4/c1-12-13(11-19-21-9-5-2-6-10-21)16(18)22(20-12)15-8-4-3-7-14(15)17/h3-4,7-8,11H,2,5-6,9-10H2,1H3
InChIKeyLCQSBDYZYBOHIB-UHFFFAOYSA-N
XLogP4.31
TPSA33.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.25
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]-N-piperidin-1-ylmethanimine?
The IUPAC name of 1-[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]-N-piperidin-1-ylmethanimine (CID 23737698) is 1-[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]-N-piperidin-1-ylmethanimine.
What is the SMILES notation for 1-[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]-N-piperidin-1-ylmethanimine?
The canonical SMILES for 1-[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]-N-piperidin-1-ylmethanimine is Cc1nn(-c2ccccc2Cl)c(Cl)c1C=NN1CCCCC1.
What is the InChIKey of 1-[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]-N-piperidin-1-ylmethanimine?
The InChIKey is LCQSBDYZYBOHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N4/c1-12-13(11-19-21-9-5-2-6-10-21)16(18)22(20-12)15-8-4-3-7-14(15)17/h3-4,7-8,11H,2,5-6,9-10H2,1H3.
What are the key properties of 1-[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]-N-piperidin-1-ylmethanimine?
1-[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]-N-piperidin-1-ylmethanimine has a molecular weight of 337.25 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-1-(2-chlorophenyl)-3-methylpyrazol-4-yl]-N-piperidin-1-ylmethanimine is sourced from PubChem (CID 23737698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).