3-(4-fluorophenyl)-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-5-carboxamide

C22H23FN4O3 — CID 71786754

IUPAC3-(4-fluorophenyl)-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-5-carboxamide
SMILESCn1nc(-c2ccc(F)cc2)cc1C(=O)NCC1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C22H23FN4O3/c1-26-20(12-19(25-26)16-2-4-18(23)5-3-16)21(28)24-13-15-6-9-27(10-7-15)22(29)17-8-11-30-14-17/h2-5,8,11-12,14-15H,6-7,9-10,13H2,1H3,(H,24,28)
InChIKeyOUBSLTKAHPTNMT-UHFFFAOYSA-N
MW410.45 g/mol
LogP3.10
Rot. Bonds5

About 3-(4-fluorophenyl)-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-5-carboxamide

3-(4-fluorophenyl)-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-5-carboxamide (PubChem CID 71786754) has the molecular formula C22H23FN4O3 and a molecular weight of 410.45 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-5-carboxamide
PubChem CID71786754
Molecular FormulaC22H23FN4O3
Molecular Weight410.45 g/mol
Exact Mass410.18
IUPAC Name3-(4-fluorophenyl)-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-5-carboxamide
SMILESCn1nc(-c2ccc(F)cc2)cc1C(=O)NCC1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C22H23FN4O3/c1-26-20(12-19(25-26)16-2-4-18(23)5-3-16)21(28)24-13-15-6-9-27(10-7-15)22(29)17-8-11-30-14-17/h2-5,8,11-12,14-15H,6-7,9-10,13H2,1H3,(H,24,28)
InChIKeyOUBSLTKAHPTNMT-UHFFFAOYSA-N
XLogP3.10
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-5-carboxamide (CID 71786754) is 3-(4-fluorophenyl)-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-5-carboxamide is Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCC1CCN(C(=O)c2ccoc2)CC1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-5-carboxamide?
The InChIKey is OUBSLTKAHPTNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O3/c1-26-20(12-19(25-26)16-2-4-18(23)5-3-16)21(28)24-13-15-6-9-27(10-7-15)22(29)17-8-11-30-14-17/h2-5,8,11-12,14-15H,6-7,9-10,13H2,1H3,(H,24,28).
What are the key properties of 3-(4-fluorophenyl)-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-5-carboxamide?
3-(4-fluorophenyl)-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-5-carboxamide has a molecular weight of 410.45 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 71786754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).