3-(4-fluorophenyl)-N-[6-[(2-methoxyphenyl)methoxy]pyrimidin-4-yl]-1-methylpyrazole-5-carboxamide

C23H20FN5O3 — CID 71795840

IUPAC3-(4-fluorophenyl)-N-[6-[(2-methoxyphenyl)methoxy]pyrimidin-4-yl]-1-methylpyrazole-5-carboxamide
SMILESCOc1ccccc1COc1cc(NC(=O)c2cc(-c3ccc(F)cc3)nn2C)ncn1
InChIInChI=1S/C23H20FN5O3/c1-29-19(11-18(28-29)15-7-9-17(24)10-8-15)23(30)27-21-12-22(26-14-25-21)32-13-16-5-3-4-6-20(16)31-2/h3-12,14H,13H2,1-2H3,(H,25,26,27,30)
InChIKeySBHZLIJIPZCYND-UHFFFAOYSA-N
MW433.44 g/mol
LogP3.86
Rot. Bonds7

About 3-(4-fluorophenyl)-N-[6-[(2-methoxyphenyl)methoxy]pyrimidin-4-yl]-1-methylpyrazole-5-carboxamide

3-(4-fluorophenyl)-N-[6-[(2-methoxyphenyl)methoxy]pyrimidin-4-yl]-1-methylpyrazole-5-carboxamide (PubChem CID 71795840) has the molecular formula C23H20FN5O3 and a molecular weight of 433.44 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[6-[(2-methoxyphenyl)methoxy]pyrimidin-4-yl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[6-[(2-methoxyphenyl)methoxy]pyrimidin-4-yl]-1-methylpyrazole-5-carboxamide
PubChem CID71795840
Molecular FormulaC23H20FN5O3
Molecular Weight433.44 g/mol
Exact Mass433.16
IUPAC Name3-(4-fluorophenyl)-N-[6-[(2-methoxyphenyl)methoxy]pyrimidin-4-yl]-1-methylpyrazole-5-carboxamide
SMILESCOc1ccccc1COc1cc(NC(=O)c2cc(-c3ccc(F)cc3)nn2C)ncn1
InChIInChI=1S/C23H20FN5O3/c1-29-19(11-18(28-29)15-7-9-17(24)10-8-15)23(30)27-21-12-22(26-14-25-21)32-13-16-5-3-4-6-20(16)31-2/h3-12,14H,13H2,1-2H3,(H,25,26,27,30)
InChIKeySBHZLIJIPZCYND-UHFFFAOYSA-N
XLogP3.86
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.44
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

CID 140430627
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CID 44448523
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CID 138458674
CID 138458674
CID 142411816
CID 142411816
CID 142411860
CID 142411860
CID 142411956
CID 142411956
CID 142411973
CID 142411973
CID 142411991
CID 142411991
CID 142412044
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CID 142412072
CID 142412072

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[6-[(2-methoxyphenyl)methoxy]pyrimidin-4-yl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[6-[(2-methoxyphenyl)methoxy]pyrimidin-4-yl]-1-methylpyrazole-5-carboxamide (CID 71795840) is 3-(4-fluorophenyl)-N-[6-[(2-methoxyphenyl)methoxy]pyrimidin-4-yl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[6-[(2-methoxyphenyl)methoxy]pyrimidin-4-yl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[6-[(2-methoxyphenyl)methoxy]pyrimidin-4-yl]-1-methylpyrazole-5-carboxamide is COc1ccccc1COc1cc(NC(=O)c2cc(-c3ccc(F)cc3)nn2C)ncn1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[6-[(2-methoxyphenyl)methoxy]pyrimidin-4-yl]-1-methylpyrazole-5-carboxamide?
The InChIKey is SBHZLIJIPZCYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O3/c1-29-19(11-18(28-29)15-7-9-17(24)10-8-15)23(30)27-21-12-22(26-14-25-21)32-13-16-5-3-4-6-20(16)31-2/h3-12,14H,13H2,1-2H3,(H,25,26,27,30).
What are the key properties of 3-(4-fluorophenyl)-N-[6-[(2-methoxyphenyl)methoxy]pyrimidin-4-yl]-1-methylpyrazole-5-carboxamide?
3-(4-fluorophenyl)-N-[6-[(2-methoxyphenyl)methoxy]pyrimidin-4-yl]-1-methylpyrazole-5-carboxamide has a molecular weight of 433.44 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[6-[(2-methoxyphenyl)methoxy]pyrimidin-4-yl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 71795840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).