3-ethyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-methylpyrazole-5-carboxamide

C19H25FN4O — CID 24790764

IUPAC3-ethyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NC2CCCN(Cc3ccccc3F)C2)n(C)n1
InChIInChI=1S/C19H25FN4O/c1-3-15-11-18(23(2)22-15)19(25)21-16-8-6-10-24(13-16)12-14-7-4-5-9-17(14)20/h4-5,7,9,11,16H,3,6,8,10,12-13H2,1-2H3,(H,21,25)
InChIKeyOZDDBMXZMRPXND-UHFFFAOYSA-N
MW344.43 g/mol
LogP2.52
Rot. Bonds5

About 3-ethyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-methylpyrazole-5-carboxamide

3-ethyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-methylpyrazole-5-carboxamide (PubChem CID 24790764) has the molecular formula C19H25FN4O and a molecular weight of 344.43 g/mol. Its IUPAC name is 3-ethyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-methylpyrazole-5-carboxamide
PubChem CID24790764
Molecular FormulaC19H25FN4O
Molecular Weight344.43 g/mol
Exact Mass344.20
IUPAC Name3-ethyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NC2CCCN(Cc3ccccc3F)C2)n(C)n1
InChIInChI=1S/C19H25FN4O/c1-3-15-11-18(23(2)22-15)19(25)21-16-8-6-10-24(13-16)12-14-7-4-5-9-17(14)20/h4-5,7,9,11,16H,3,6,8,10,12-13H2,1-2H3,(H,21,25)
InChIKeyOZDDBMXZMRPXND-UHFFFAOYSA-N
XLogP2.52
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 3-ethyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-methylpyrazole-5-carboxamide (CID 24790764) is 3-ethyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 3-ethyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 3-ethyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-methylpyrazole-5-carboxamide is CCc1cc(C(=O)NC2CCCN(Cc3ccccc3F)C2)n(C)n1.
What is the InChIKey of 3-ethyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-methylpyrazole-5-carboxamide?
The InChIKey is OZDDBMXZMRPXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O/c1-3-15-11-18(23(2)22-15)19(25)21-16-8-6-10-24(13-16)12-14-7-4-5-9-17(14)20/h4-5,7,9,11,16H,3,6,8,10,12-13H2,1-2H3,(H,21,25).
What are the key properties of 3-ethyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-methylpyrazole-5-carboxamide?
3-ethyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-methylpyrazole-5-carboxamide has a molecular weight of 344.43 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 24790764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).