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

C16H20FN5O — CID 44621200

IUPACN-[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide
SMILESO=C(CCCN1CCCC1)Nc1cc(-c2cncc(F)c2)[nH]n1
InChIInChI=1S/C16H20FN5O/c17-13-8-12(10-18-11-13)14-9-15(21-20-14)19-16(23)4-3-7-22-5-1-2-6-22/h8-11H,1-7H2,(H2,19,20,21,23)
InChIKeyBTNUNYLUDQIMJL-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.43
Rot. Bonds6

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

N-[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide (PubChem CID 44621200) has the molecular formula C16H20FN5O and a molecular weight of 317.37 g/mol. Its IUPAC name is N-[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide.

Molecular Properties

Compound NameN-[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide
PubChem CID44621200
Molecular FormulaC16H20FN5O
Molecular Weight317.37 g/mol
Exact Mass317.17
IUPAC NameN-[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide
SMILESO=C(CCCN1CCCC1)Nc1cc(-c2cncc(F)c2)[nH]n1
InChIInChI=1S/C16H20FN5O/c17-13-8-12(10-18-11-13)14-9-15(21-20-14)19-16(23)4-3-7-22-5-1-2-6-22/h8-11H,1-7H2,(H2,19,20,21,23)
InChIKeyBTNUNYLUDQIMJL-UHFFFAOYSA-N
XLogP2.43
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.43
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-pyrrolidin-1-ylbutanamide?
The IUPAC name of N-[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide (CID 44621200) is N-[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide.
What is the SMILES notation for N-[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide?
The canonical SMILES for N-[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide is O=C(CCCN1CCCC1)Nc1cc(-c2cncc(F)c2)[nH]n1.
What is the InChIKey of N-[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide?
The InChIKey is BTNUNYLUDQIMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5O/c17-13-8-12(10-18-11-13)14-9-15(21-20-14)19-16(23)4-3-7-22-5-1-2-6-22/h8-11H,1-7H2,(H2,19,20,21,23).
What are the key properties of N-[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide?
N-[5-(5-fluoro-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide has a molecular weight of 317.37 g/mol, XLogP of 2.43, 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-pyrrolidin-1-ylbutanamide is sourced from PubChem (CID 44621200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).