(Z)-1-[5-chloro-1-(3-chlorophenyl)-3-methylpyrazol-4-yl]-N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanimine

C18H22Cl2N4 — CID 7819051

IUPAC(Z)-1-[5-chloro-1-(3-chlorophenyl)-3-methylpyrazol-4-yl]-N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanimine
SMILESCc1nn(-c2cccc(Cl)c2)c(Cl)c1/C=N\N1[C@H](C)CCC[C@H]1C
InChIInChI=1S/C18H22Cl2N4/c1-12-6-4-7-13(2)23(12)21-11-17-14(3)22-24(18(17)20)16-9-5-8-15(19)10-16/h5,8-13H,4,6-7H2,1-3H3/b21-11+/t12-,13-/m1/s1
InChIKeyQITSIAKIBCHYGU-SQYMIKHXSA-N
MW365.31 g/mol
LogP5.08
Rot. Bonds3

About (Z)-1-[5-chloro-1-(3-chlorophenyl)-3-methylpyrazol-4-yl]-N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanimine

(Z)-1-[5-chloro-1-(3-chlorophenyl)-3-methylpyrazol-4-yl]-N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanimine (PubChem CID 7819051) has the molecular formula C18H22Cl2N4 and a molecular weight of 365.31 g/mol. Its IUPAC name is (Z)-1-[5-chloro-1-(3-chlorophenyl)-3-methylpyrazol-4-yl]-N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanimine.

Molecular Properties

Compound Name(Z)-1-[5-chloro-1-(3-chlorophenyl)-3-methylpyrazol-4-yl]-N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanimine
PubChem CID7819051
Molecular FormulaC18H22Cl2N4
Molecular Weight365.31 g/mol
Exact Mass364.12
IUPAC Name(Z)-1-[5-chloro-1-(3-chlorophenyl)-3-methylpyrazol-4-yl]-N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanimine
SMILESCc1nn(-c2cccc(Cl)c2)c(Cl)c1/C=N\N1[C@H](C)CCC[C@H]1C
InChIInChI=1S/C18H22Cl2N4/c1-12-6-4-7-13(2)23(12)21-11-17-14(3)22-24(18(17)20)16-9-5-8-15(19)10-16/h5,8-13H,4,6-7H2,1-3H3/b21-11+/t12-,13-/m1/s1
InChIKeyQITSIAKIBCHYGU-SQYMIKHXSA-N
XLogP5.08
TPSA33.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.31
LogP ≤ 55.08
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 (Z)-1-[5-chloro-1-(3-chlorophenyl)-3-methylpyrazol-4-yl]-N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanimine?
The IUPAC name of (Z)-1-[5-chloro-1-(3-chlorophenyl)-3-methylpyrazol-4-yl]-N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanimine (CID 7819051) is (Z)-1-[5-chloro-1-(3-chlorophenyl)-3-methylpyrazol-4-yl]-N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanimine.
What is the SMILES notation for (Z)-1-[5-chloro-1-(3-chlorophenyl)-3-methylpyrazol-4-yl]-N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanimine?
The canonical SMILES for (Z)-1-[5-chloro-1-(3-chlorophenyl)-3-methylpyrazol-4-yl]-N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanimine is Cc1nn(-c2cccc(Cl)c2)c(Cl)c1/C=N\N1[C@H](C)CCC[C@H]1C.
What is the InChIKey of (Z)-1-[5-chloro-1-(3-chlorophenyl)-3-methylpyrazol-4-yl]-N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanimine?
The InChIKey is QITSIAKIBCHYGU-SQYMIKHXSA-N. The full InChI is InChI=1S/C18H22Cl2N4/c1-12-6-4-7-13(2)23(12)21-11-17-14(3)22-24(18(17)20)16-9-5-8-15(19)10-16/h5,8-13H,4,6-7H2,1-3H3/b21-11+/t12-,13-/m1/s1.
What are the key properties of (Z)-1-[5-chloro-1-(3-chlorophenyl)-3-methylpyrazol-4-yl]-N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanimine?
(Z)-1-[5-chloro-1-(3-chlorophenyl)-3-methylpyrazol-4-yl]-N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanimine has a molecular weight of 365.31 g/mol, XLogP of 5.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[5-chloro-1-(3-chlorophenyl)-3-methylpyrazol-4-yl]-N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanimine is sourced from PubChem (CID 7819051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).