1-(2-fluorophenyl)-5-(4-methoxyphenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide

C23H25FN4O2 — CID 11825711

IUPAC1-(2-fluorophenyl)-5-(4-methoxyphenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
SMILESCOc1ccc(-c2c(C)c(C(=O)NN3CCCCC3)nn2-c2ccccc2F)cc1
InChIInChI=1S/C23H25FN4O2/c1-16-21(23(29)26-27-14-6-3-7-15-27)25-28(20-9-5-4-8-19(20)24)22(16)17-10-12-18(30-2)13-11-17/h4-5,8-13H,3,6-7,14-15H2,1-2H3,(H,26,29)
InChIKeyIWXIADMDALJGIK-UHFFFAOYSA-N
MW408.48 g/mol
LogP4.13
Rot. Bonds5

About 1-(2-fluorophenyl)-5-(4-methoxyphenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide

1-(2-fluorophenyl)-5-(4-methoxyphenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide (PubChem CID 11825711) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-5-(4-methoxyphenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-5-(4-methoxyphenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
PubChem CID11825711
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC Name1-(2-fluorophenyl)-5-(4-methoxyphenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
SMILESCOc1ccc(-c2c(C)c(C(=O)NN3CCCCC3)nn2-c2ccccc2F)cc1
InChIInChI=1S/C23H25FN4O2/c1-16-21(23(29)26-27-14-6-3-7-15-27)25-28(20-9-5-4-8-19(20)24)22(16)17-10-12-18(30-2)13-11-17/h4-5,8-13H,3,6-7,14-15H2,1-2H3,(H,26,29)
InChIKeyIWXIADMDALJGIK-UHFFFAOYSA-N
XLogP4.13
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-5-(4-methoxyphenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-5-(4-methoxyphenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide (CID 11825711) is 1-(2-fluorophenyl)-5-(4-methoxyphenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-5-(4-methoxyphenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-5-(4-methoxyphenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide is COc1ccc(-c2c(C)c(C(=O)NN3CCCCC3)nn2-c2ccccc2F)cc1.
What is the InChIKey of 1-(2-fluorophenyl)-5-(4-methoxyphenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide?
The InChIKey is IWXIADMDALJGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2/c1-16-21(23(29)26-27-14-6-3-7-15-27)25-28(20-9-5-4-8-19(20)24)22(16)17-10-12-18(30-2)13-11-17/h4-5,8-13H,3,6-7,14-15H2,1-2H3,(H,26,29).
What are the key properties of 1-(2-fluorophenyl)-5-(4-methoxyphenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide?
1-(2-fluorophenyl)-5-(4-methoxyphenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide has a molecular weight of 408.48 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-5-(4-methoxyphenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide is sourced from PubChem (CID 11825711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).