N-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylpentanamide

C19H25FN4O2 — CID 59173962

IUPACN-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylpentanamide
SMILESCOc1ccc(F)cc1-c1cc(NC(=O)CCC(C)N2CCCC2)n[nH]1
InChIInChI=1S/C19H25FN4O2/c1-13(24-9-3-4-10-24)5-8-19(25)21-18-12-16(22-23-18)15-11-14(20)6-7-17(15)26-2/h6-7,11-13H,3-5,8-10H2,1-2H3,(H2,21,22,23,25)
InChIKeyQYTKNFFBBPVICL-UHFFFAOYSA-N
MW360.43 g/mol
LogP3.43
Rot. Bonds7

About N-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylpentanamide

N-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylpentanamide (PubChem CID 59173962) has the molecular formula C19H25FN4O2 and a molecular weight of 360.43 g/mol. Its IUPAC name is N-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylpentanamide.

Molecular Properties

Compound NameN-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylpentanamide
PubChem CID59173962
Molecular FormulaC19H25FN4O2
Molecular Weight360.43 g/mol
Exact Mass360.20
IUPAC NameN-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylpentanamide
SMILESCOc1ccc(F)cc1-c1cc(NC(=O)CCC(C)N2CCCC2)n[nH]1
InChIInChI=1S/C19H25FN4O2/c1-13(24-9-3-4-10-24)5-8-19(25)21-18-12-16(22-23-18)15-11-14(20)6-7-17(15)26-2/h6-7,11-13H,3-5,8-10H2,1-2H3,(H2,21,22,23,25)
InChIKeyQYTKNFFBBPVICL-UHFFFAOYSA-N
XLogP3.43
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 53.43
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-2-methoxyphenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylpentanamide?
The IUPAC name of N-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylpentanamide (CID 59173962) is N-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylpentanamide.
What is the SMILES notation for N-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylpentanamide?
The canonical SMILES for N-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylpentanamide is COc1ccc(F)cc1-c1cc(NC(=O)CCC(C)N2CCCC2)n[nH]1.
What is the InChIKey of N-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylpentanamide?
The InChIKey is QYTKNFFBBPVICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O2/c1-13(24-9-3-4-10-24)5-8-19(25)21-18-12-16(22-23-18)15-11-14(20)6-7-17(15)26-2/h6-7,11-13H,3-5,8-10H2,1-2H3,(H2,21,22,23,25).
What are the key properties of N-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylpentanamide?
N-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylpentanamide has a molecular weight of 360.43 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylpentanamide is sourced from PubChem (CID 59173962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).