(Z)-1-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-N-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanimine

C18H23ClN4 — CID 6597521

IUPAC(Z)-1-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-N-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanimine
SMILESCc1nn(-c2ccccc2)c(Cl)c1/C=N\N1[C@H](C)CCC[C@@H]1C
InChIInChI=1S/C18H23ClN4/c1-13-8-7-9-14(2)22(13)20-12-17-15(3)21-23(18(17)19)16-10-5-4-6-11-16/h4-6,10-14H,7-9H2,1-3H3/b20-12+/t13-,14+
InChIKeyJQAAFLFHSFSORD-MQUZEGJISA-N
MW330.86 g/mol
LogP4.43
Rot. Bonds3

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

(Z)-1-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-N-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanimine (PubChem CID 6597521) has the molecular formula C18H23ClN4 and a molecular weight of 330.86 g/mol. Its IUPAC name is (Z)-1-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-N-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanimine.

Molecular Properties

Compound Name(Z)-1-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-N-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanimine
PubChem CID6597521
Molecular FormulaC18H23ClN4
Molecular Weight330.86 g/mol
Exact Mass330.16
IUPAC Name(Z)-1-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-N-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanimine
SMILESCc1nn(-c2ccccc2)c(Cl)c1/C=N\N1[C@H](C)CCC[C@@H]1C
InChIInChI=1S/C18H23ClN4/c1-13-8-7-9-14(2)22(13)20-12-17-15(3)21-23(18(17)19)16-10-5-4-6-11-16/h4-6,10-14H,7-9H2,1-3H3/b20-12+/t13-,14+
InChIKeyJQAAFLFHSFSORD-MQUZEGJISA-N
XLogP4.43
TPSA33.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 54.43
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-3-methyl-1-phenylpyrazol-4-yl)-N-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanimine?
The IUPAC name of (Z)-1-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-N-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanimine (CID 6597521) is (Z)-1-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-N-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanimine.
What is the SMILES notation for (Z)-1-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-N-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanimine?
The canonical SMILES for (Z)-1-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-N-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanimine is Cc1nn(-c2ccccc2)c(Cl)c1/C=N\N1[C@H](C)CCC[C@@H]1C.
What is the InChIKey of (Z)-1-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-N-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanimine?
The InChIKey is JQAAFLFHSFSORD-MQUZEGJISA-N. The full InChI is InChI=1S/C18H23ClN4/c1-13-8-7-9-14(2)22(13)20-12-17-15(3)21-23(18(17)19)16-10-5-4-6-11-16/h4-6,10-14H,7-9H2,1-3H3/b20-12+/t13-,14+.
What are the key properties of (Z)-1-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-N-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanimine?
(Z)-1-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-N-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanimine has a molecular weight of 330.86 g/mol, XLogP of 4.43, 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-3-methyl-1-phenylpyrazol-4-yl)-N-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanimine is sourced from PubChem (CID 6597521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).