1-(5-ethyl-2-pyridinyl)-N-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]methanamine

C25H25FN4O — CID 42533225

IUPAC1-(5-ethyl-2-pyridinyl)-N-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]methanamine
SMILESCCc1ccc(CNCc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2F)nc1
InChIInChI=1S/C25H25FN4O/c1-3-18-9-10-20(28-14-18)16-27-15-19-17-30(21-7-5-4-6-8-21)29-25(19)23-12-11-22(31-2)13-24(23)26/h4-14,17,27H,3,15-16H2,1-2H3
InChIKeyWOKMBDCRCXLUSX-UHFFFAOYSA-N
MW416.50 g/mol
LogP4.93
Rot. Bonds8

About 1-(5-ethyl-2-pyridinyl)-N-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]methanamine

1-(5-ethyl-2-pyridinyl)-N-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]methanamine (PubChem CID 42533225) has the molecular formula C25H25FN4O and a molecular weight of 416.50 g/mol. Its IUPAC name is 1-(5-ethyl-2-pyridinyl)-N-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(5-ethyl-2-pyridinyl)-N-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]methanamine
PubChem CID42533225
Molecular FormulaC25H25FN4O
Molecular Weight416.50 g/mol
Exact Mass416.20
IUPAC Name1-(5-ethyl-2-pyridinyl)-N-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]methanamine
SMILESCCc1ccc(CNCc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2F)nc1
InChIInChI=1S/C25H25FN4O/c1-3-18-9-10-20(28-14-18)16-27-15-19-17-30(21-7-5-4-6-8-21)29-25(19)23-12-11-22(31-2)13-24(23)26/h4-14,17,27H,3,15-16H2,1-2H3
InChIKeyWOKMBDCRCXLUSX-UHFFFAOYSA-N
XLogP4.93
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2-pyridinyl)-N-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]methanamine?
The IUPAC name of 1-(5-ethyl-2-pyridinyl)-N-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]methanamine (CID 42533225) is 1-(5-ethyl-2-pyridinyl)-N-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]methanamine.
What is the SMILES notation for 1-(5-ethyl-2-pyridinyl)-N-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]methanamine?
The canonical SMILES for 1-(5-ethyl-2-pyridinyl)-N-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]methanamine is CCc1ccc(CNCc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2F)nc1.
What is the InChIKey of 1-(5-ethyl-2-pyridinyl)-N-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]methanamine?
The InChIKey is WOKMBDCRCXLUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O/c1-3-18-9-10-20(28-14-18)16-27-15-19-17-30(21-7-5-4-6-8-21)29-25(19)23-12-11-22(31-2)13-24(23)26/h4-14,17,27H,3,15-16H2,1-2H3.
What are the key properties of 1-(5-ethyl-2-pyridinyl)-N-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]methanamine?
1-(5-ethyl-2-pyridinyl)-N-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]methanamine has a molecular weight of 416.50 g/mol, XLogP of 4.93, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2-pyridinyl)-N-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]methanamine is sourced from PubChem (CID 42533225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).