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

C17H22FN5O — CID 44621189

IUPACN-[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
SMILESO=C(CCCN1CCCCC1)Nc1cc(-c2cncc(F)c2)[nH]n1
InChIInChI=1S/C17H22FN5O/c18-14-9-13(11-19-12-14)15-10-16(22-21-15)20-17(24)5-4-8-23-6-2-1-3-7-23/h9-12H,1-8H2,(H2,20,21,22,24)
InChIKeyGNDNZRZDAMEHRN-UHFFFAOYSA-N
MW331.39 g/mol
LogP2.82
Rot. Bonds6

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

N-[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide (PubChem CID 44621189) has the molecular formula C17H22FN5O and a molecular weight of 331.39 g/mol. Its IUPAC name is N-[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide.

Molecular Properties

Compound NameN-[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
PubChem CID44621189
Molecular FormulaC17H22FN5O
Molecular Weight331.39 g/mol
Exact Mass331.18
IUPAC NameN-[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
SMILESO=C(CCCN1CCCCC1)Nc1cc(-c2cncc(F)c2)[nH]n1
InChIInChI=1S/C17H22FN5O/c18-14-9-13(11-19-12-14)15-10-16(22-21-15)20-17(24)5-4-8-23-6-2-1-3-7-23/h9-12H,1-8H2,(H2,20,21,22,24)
InChIKeyGNDNZRZDAMEHRN-UHFFFAOYSA-N
XLogP2.82
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide?
The IUPAC name of N-[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide (CID 44621189) is N-[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide.
What is the SMILES notation for N-[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide?
The canonical SMILES for N-[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide is O=C(CCCN1CCCCC1)Nc1cc(-c2cncc(F)c2)[nH]n1.
What is the InChIKey of N-[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide?
The InChIKey is GNDNZRZDAMEHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN5O/c18-14-9-13(11-19-12-14)15-10-16(22-21-15)20-17(24)5-4-8-23-6-2-1-3-7-23/h9-12H,1-8H2,(H2,20,21,22,24).
What are the key properties of N-[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide?
N-[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide has a molecular weight of 331.39 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide is sourced from PubChem (CID 44621189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).