1-(4-fluorophenyl)-N-(2-methoxyethyl)-3,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide

C20H24FN5O2 — CID 50958460

IUPAC1-(4-fluorophenyl)-N-(2-methoxyethyl)-3,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
SMILESCOCCN(Cc1cnn(C)c1)C(=O)c1c(C)nn(-c2ccc(F)cc2)c1C
InChIInChI=1S/C20H24FN5O2/c1-14-19(15(2)26(23-14)18-7-5-17(21)6-8-18)20(27)25(9-10-28-4)13-16-11-22-24(3)12-16/h5-8,11-12H,9-10,13H2,1-4H3
InChIKeySVMHRCOANBUXLP-UHFFFAOYSA-N
MW385.44 g/mol
LogP2.65
Rot. Bonds7

About 1-(4-fluorophenyl)-N-(2-methoxyethyl)-3,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide

1-(4-fluorophenyl)-N-(2-methoxyethyl)-3,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide (PubChem CID 50958460) has the molecular formula C20H24FN5O2 and a molecular weight of 385.44 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(2-methoxyethyl)-3,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(2-methoxyethyl)-3,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
PubChem CID50958460
Molecular FormulaC20H24FN5O2
Molecular Weight385.44 g/mol
Exact Mass385.19
IUPAC Name1-(4-fluorophenyl)-N-(2-methoxyethyl)-3,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
SMILESCOCCN(Cc1cnn(C)c1)C(=O)c1c(C)nn(-c2ccc(F)cc2)c1C
InChIInChI=1S/C20H24FN5O2/c1-14-19(15(2)26(23-14)18-7-5-17(21)6-8-18)20(27)25(9-10-28-4)13-16-11-22-24(3)12-16/h5-8,11-12H,9-10,13H2,1-4H3
InChIKeySVMHRCOANBUXLP-UHFFFAOYSA-N
XLogP2.65
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(2-methoxyethyl)-3,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(2-methoxyethyl)-3,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide (CID 50958460) is 1-(4-fluorophenyl)-N-(2-methoxyethyl)-3,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(2-methoxyethyl)-3,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(2-methoxyethyl)-3,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide is COCCN(Cc1cnn(C)c1)C(=O)c1c(C)nn(-c2ccc(F)cc2)c1C.
What is the InChIKey of 1-(4-fluorophenyl)-N-(2-methoxyethyl)-3,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is SVMHRCOANBUXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5O2/c1-14-19(15(2)26(23-14)18-7-5-17(21)6-8-18)20(27)25(9-10-28-4)13-16-11-22-24(3)12-16/h5-8,11-12H,9-10,13H2,1-4H3.
What are the key properties of 1-(4-fluorophenyl)-N-(2-methoxyethyl)-3,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide?
1-(4-fluorophenyl)-N-(2-methoxyethyl)-3,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 385.44 g/mol, XLogP of 2.65, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(2-methoxyethyl)-3,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 50958460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).