5-[[3-[(Z)-2-(4-cyclohexylphenyl)-1-fluoroethenyl]-5-methylpyrazol-1-yl]methyl]-N-methylpyridin-2-amine

C25H29FN4 — CID 71226937

IUPAC5-[[3-[(Z)-2-(4-cyclohexylphenyl)-1-fluoroethenyl]-5-methylpyrazol-1-yl]methyl]-N-methylpyridin-2-amine
SMILESCNc1ccc(Cn2nc(/C(F)=C/c3ccc(C4CCCCC4)cc3)cc2C)cn1
InChIInChI=1S/C25H29FN4/c1-18-14-24(29-30(18)17-20-10-13-25(27-2)28-16-20)23(26)15-19-8-11-22(12-9-19)21-6-4-3-5-7-21/h8-16,21H,3-7,17H2,1-2H3,(H,27,28)/b23-15-
InChIKeyDNNPZRLHYNPEJF-HAHDFKILSA-N
MW404.53 g/mol
LogP6.19
Rot. Bonds6

About 5-[[3-[(Z)-2-(4-cyclohexylphenyl)-1-fluoroethenyl]-5-methylpyrazol-1-yl]methyl]-N-methylpyridin-2-amine

5-[[3-[(Z)-2-(4-cyclohexylphenyl)-1-fluoroethenyl]-5-methylpyrazol-1-yl]methyl]-N-methylpyridin-2-amine (PubChem CID 71226937) has the molecular formula C25H29FN4 and a molecular weight of 404.53 g/mol. Its IUPAC name is 5-[[3-[(Z)-2-(4-cyclohexylphenyl)-1-fluoroethenyl]-5-methylpyrazol-1-yl]methyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-[[3-[(Z)-2-(4-cyclohexylphenyl)-1-fluoroethenyl]-5-methylpyrazol-1-yl]methyl]-N-methylpyridin-2-amine
PubChem CID71226937
Molecular FormulaC25H29FN4
Molecular Weight404.53 g/mol
Exact Mass404.24
IUPAC Name5-[[3-[(Z)-2-(4-cyclohexylphenyl)-1-fluoroethenyl]-5-methylpyrazol-1-yl]methyl]-N-methylpyridin-2-amine
SMILESCNc1ccc(Cn2nc(/C(F)=C/c3ccc(C4CCCCC4)cc3)cc2C)cn1
InChIInChI=1S/C25H29FN4/c1-18-14-24(29-30(18)17-20-10-13-25(27-2)28-16-20)23(26)15-19-8-11-22(12-9-19)21-6-4-3-5-7-21/h8-16,21H,3-7,17H2,1-2H3,(H,27,28)/b23-15-
InChIKeyDNNPZRLHYNPEJF-HAHDFKILSA-N
XLogP6.19
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.53
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-[(Z)-2-(4-cyclohexylphenyl)-1-fluoroethenyl]-5-methylpyrazol-1-yl]methyl]-N-methylpyridin-2-amine?
The IUPAC name of 5-[[3-[(Z)-2-(4-cyclohexylphenyl)-1-fluoroethenyl]-5-methylpyrazol-1-yl]methyl]-N-methylpyridin-2-amine (CID 71226937) is 5-[[3-[(Z)-2-(4-cyclohexylphenyl)-1-fluoroethenyl]-5-methylpyrazol-1-yl]methyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 5-[[3-[(Z)-2-(4-cyclohexylphenyl)-1-fluoroethenyl]-5-methylpyrazol-1-yl]methyl]-N-methylpyridin-2-amine?
The canonical SMILES for 5-[[3-[(Z)-2-(4-cyclohexylphenyl)-1-fluoroethenyl]-5-methylpyrazol-1-yl]methyl]-N-methylpyridin-2-amine is CNc1ccc(Cn2nc(/C(F)=C/c3ccc(C4CCCCC4)cc3)cc2C)cn1.
What is the InChIKey of 5-[[3-[(Z)-2-(4-cyclohexylphenyl)-1-fluoroethenyl]-5-methylpyrazol-1-yl]methyl]-N-methylpyridin-2-amine?
The InChIKey is DNNPZRLHYNPEJF-HAHDFKILSA-N. The full InChI is InChI=1S/C25H29FN4/c1-18-14-24(29-30(18)17-20-10-13-25(27-2)28-16-20)23(26)15-19-8-11-22(12-9-19)21-6-4-3-5-7-21/h8-16,21H,3-7,17H2,1-2H3,(H,27,28)/b23-15-.
What are the key properties of 5-[[3-[(Z)-2-(4-cyclohexylphenyl)-1-fluoroethenyl]-5-methylpyrazol-1-yl]methyl]-N-methylpyridin-2-amine?
5-[[3-[(Z)-2-(4-cyclohexylphenyl)-1-fluoroethenyl]-5-methylpyrazol-1-yl]methyl]-N-methylpyridin-2-amine has a molecular weight of 404.53 g/mol, XLogP of 6.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-[(Z)-2-(4-cyclohexylphenyl)-1-fluoroethenyl]-5-methylpyrazol-1-yl]methyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 71226937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).