3-(4-fluorophenyl)-1-methyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]pyrazole-5-carboxamide

C21H19FN6O — CID 122274377

IUPAC3-(4-fluorophenyl)-1-methyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]pyrazole-5-carboxamide
SMILESCn1cc(-c2ccc(CNC(=O)c3cc(-c4ccc(F)cc4)nn3C)cn2)cn1
InChIInChI=1S/C21H19FN6O/c1-27-13-16(12-25-27)18-8-3-14(10-23-18)11-24-21(29)20-9-19(26-28(20)2)15-4-6-17(22)7-5-15/h3-10,12-13H,11H2,1-2H3,(H,24,29)
InChIKeyGJCYOJMUSJUVDI-UHFFFAOYSA-N
MW390.42 g/mol
LogP2.95
Rot. Bonds5

About 3-(4-fluorophenyl)-1-methyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]pyrazole-5-carboxamide

3-(4-fluorophenyl)-1-methyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]pyrazole-5-carboxamide (PubChem CID 122274377) has the molecular formula C21H19FN6O and a molecular weight of 390.42 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-methyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-methyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]pyrazole-5-carboxamide
PubChem CID122274377
Molecular FormulaC21H19FN6O
Molecular Weight390.42 g/mol
Exact Mass390.16
IUPAC Name3-(4-fluorophenyl)-1-methyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]pyrazole-5-carboxamide
SMILESCn1cc(-c2ccc(CNC(=O)c3cc(-c4ccc(F)cc4)nn3C)cn2)cn1
InChIInChI=1S/C21H19FN6O/c1-27-13-16(12-25-27)18-8-3-14(10-23-18)11-24-21(29)20-9-19(26-28(20)2)15-4-6-17(22)7-5-15/h3-10,12-13H,11H2,1-2H3,(H,24,29)
InChIKeyGJCYOJMUSJUVDI-UHFFFAOYSA-N
XLogP2.95
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-methyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]pyrazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-1-methyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]pyrazole-5-carboxamide (CID 122274377) is 3-(4-fluorophenyl)-1-methyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-1-methyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-1-methyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]pyrazole-5-carboxamide is Cn1cc(-c2ccc(CNC(=O)c3cc(-c4ccc(F)cc4)nn3C)cn2)cn1.
What is the InChIKey of 3-(4-fluorophenyl)-1-methyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]pyrazole-5-carboxamide?
The InChIKey is GJCYOJMUSJUVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN6O/c1-27-13-16(12-25-27)18-8-3-14(10-23-18)11-24-21(29)20-9-19(26-28(20)2)15-4-6-17(22)7-5-15/h3-10,12-13H,11H2,1-2H3,(H,24,29).
What are the key properties of 3-(4-fluorophenyl)-1-methyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]pyrazole-5-carboxamide?
3-(4-fluorophenyl)-1-methyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]pyrazole-5-carboxamide has a molecular weight of 390.42 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-methyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 122274377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).