N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide

C18H23FN4O — CID 59174010

IUPACN-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
SMILESO=C(CCCN1CCCCC1)Nc1cc(-c2cccc(F)c2)[nH]n1
InChIInChI=1S/C18H23FN4O/c19-15-7-4-6-14(12-15)16-13-17(22-21-16)20-18(24)8-5-11-23-9-2-1-3-10-23/h4,6-7,12-13H,1-3,5,8-11H2,(H2,20,21,22,24)
InChIKeyIUDDWGVXIBGSGZ-UHFFFAOYSA-N
MW330.41 g/mol
LogP3.42
Rot. Bonds6

About N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide

N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide (PubChem CID 59174010) has the molecular formula C18H23FN4O and a molecular weight of 330.41 g/mol. Its IUPAC name is N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide.

Molecular Properties

Compound NameN-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
PubChem CID59174010
Molecular FormulaC18H23FN4O
Molecular Weight330.41 g/mol
Exact Mass330.19
IUPAC NameN-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
SMILESO=C(CCCN1CCCCC1)Nc1cc(-c2cccc(F)c2)[nH]n1
InChIInChI=1S/C18H23FN4O/c19-15-7-4-6-14(12-15)16-13-17(22-21-16)20-18(24)8-5-11-23-9-2-1-3-10-23/h4,6-7,12-13H,1-3,5,8-11H2,(H2,20,21,22,24)
InChIKeyIUDDWGVXIBGSGZ-UHFFFAOYSA-N
XLogP3.42
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide?
The IUPAC name of N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide (CID 59174010) is N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide.
What is the SMILES notation for N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide?
The canonical SMILES for N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide is O=C(CCCN1CCCCC1)Nc1cc(-c2cccc(F)c2)[nH]n1.
What is the InChIKey of N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide?
The InChIKey is IUDDWGVXIBGSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O/c19-15-7-4-6-14(12-15)16-13-17(22-21-16)20-18(24)8-5-11-23-9-2-1-3-10-23/h4,6-7,12-13H,1-3,5,8-11H2,(H2,20,21,22,24).
What are the key properties of N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide?
N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide has a molecular weight of 330.41 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide is sourced from PubChem (CID 59174010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).