N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide

C21H22ClFN4O2 — CID 19416061

About N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide

N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide (PubChem CID 19416061) has the molecular formula C21H22ClFN4O2 and a molecular weight of 416.88 g/mol. Its IUPAC name is N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide
• PubChem CID: 19416061
• Molecular Formula: C21H22ClFN4O2
• Molecular Weight: 416.88 g/mol
• Exact Mass: 416.14
• IUPAC Name: N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide
• SMILES: O=C(Nc1nn(Cc2cccc(F)c2)cc1Cl)c1ccc(CN2CCCCC2)o1
• InChI: InChI=1S/C21H22ClFN4O2/c22-18-14-27(12-15-5-4-6-16(23)11-15)25-20(18)24-21(28)19-8-7-17(29-19)13-26-9-2-1-3-10-26/h4-8,11,14H,1-3,9-10,12-13H2,(H,24,25,28)
• InChIKey: PRIWYCIGWCDJNM-UHFFFAOYSA-N
• XLogP: 4.56
• TPSA: 63.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.88
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide?

The IUPAC name of N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide (CID 19416061) is N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide.

What is the SMILES notation for N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide?

The canonical SMILES for N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide is O=C(Nc1nn(Cc2cccc(F)c2)cc1Cl)c1ccc(CN2CCCCC2)o1.

What is the InChIKey of N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide?

The InChIKey is PRIWYCIGWCDJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClFN4O2/c22-18-14-27(12-15-5-4-6-16(23)11-15)25-20(18)24-21(28)19-8-7-17(29-19)13-26-9-2-1-3-10-26/h4-8,11,14H,1-3,9-10,12-13H2,(H,24,25,28).

What are the key properties of N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide?

N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide has a molecular weight of 416.88 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 19416061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).