5-ethyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-4-methyl-1H-pyrazole-3-carboxamide

C19H25FN4O — CID 24790080

IUPAC5-ethyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-4-methyl-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)NC2CCCN(Cc3ccccc3F)C2)c1C
InChIInChI=1S/C19H25FN4O/c1-3-17-13(2)18(23-22-17)19(25)21-15-8-6-10-24(12-15)11-14-7-4-5-9-16(14)20/h4-5,7,9,15H,3,6,8,10-12H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyHRCLNHPUSFIKOU-UHFFFAOYSA-N
MW344.43 g/mol
LogP2.81
Rot. Bonds5

About 5-ethyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-4-methyl-1H-pyrazole-3-carboxamide

5-ethyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-4-methyl-1H-pyrazole-3-carboxamide (PubChem CID 24790080) has the molecular formula C19H25FN4O and a molecular weight of 344.43 g/mol. Its IUPAC name is 5-ethyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-4-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-4-methyl-1H-pyrazole-3-carboxamide
PubChem CID24790080
Molecular FormulaC19H25FN4O
Molecular Weight344.43 g/mol
Exact Mass344.20
IUPAC Name5-ethyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-4-methyl-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)NC2CCCN(Cc3ccccc3F)C2)c1C
InChIInChI=1S/C19H25FN4O/c1-3-17-13(2)18(23-22-17)19(25)21-15-8-6-10-24(12-15)11-14-7-4-5-9-16(14)20/h4-5,7,9,15H,3,6,8,10-12H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyHRCLNHPUSFIKOU-UHFFFAOYSA-N
XLogP2.81
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-4-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-ethyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-4-methyl-1H-pyrazole-3-carboxamide (CID 24790080) is 5-ethyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-4-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-ethyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-4-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-ethyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-4-methyl-1H-pyrazole-3-carboxamide is CCc1[nH]nc(C(=O)NC2CCCN(Cc3ccccc3F)C2)c1C.
What is the InChIKey of 5-ethyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-4-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is HRCLNHPUSFIKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O/c1-3-17-13(2)18(23-22-17)19(25)21-15-8-6-10-24(12-15)11-14-7-4-5-9-16(14)20/h4-5,7,9,15H,3,6,8,10-12H2,1-2H3,(H,21,25)(H,22,23).
What are the key properties of 5-ethyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-4-methyl-1H-pyrazole-3-carboxamide?
5-ethyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-4-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 344.43 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-4-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 24790080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).