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

C18H23FN4O2 — CID 59173779

IUPACN-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide
SMILESCOc1ccc(F)cc1-c1cc(NC(=O)CCCN2CCCC2)n[nH]1
InChIInChI=1S/C18H23FN4O2/c1-25-16-7-6-13(19)11-14(16)15-12-17(22-21-15)20-18(24)5-4-10-23-8-2-3-9-23/h6-7,11-12H,2-5,8-10H2,1H3,(H2,20,21,22,24)
InChIKeyQYSGJPZWCMWJQH-UHFFFAOYSA-N
MW346.41 g/mol
LogP3.04
Rot. Bonds7

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

N-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide (PubChem CID 59173779) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is N-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide.

Molecular Properties

Compound NameN-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide
PubChem CID59173779
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC NameN-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide
SMILESCOc1ccc(F)cc1-c1cc(NC(=O)CCCN2CCCC2)n[nH]1
InChIInChI=1S/C18H23FN4O2/c1-25-16-7-6-13(19)11-14(16)15-12-17(22-21-15)20-18(24)5-4-10-23-8-2-3-9-23/h6-7,11-12H,2-5,8-10H2,1H3,(H2,20,21,22,24)
InChIKeyQYSGJPZWCMWJQH-UHFFFAOYSA-N
XLogP3.04
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 53.04
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-ylbutanamide?
The IUPAC name of N-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide (CID 59173779) is N-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide.
What is the SMILES notation for N-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide?
The canonical SMILES for N-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide is COc1ccc(F)cc1-c1cc(NC(=O)CCCN2CCCC2)n[nH]1.
What is the InChIKey of N-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide?
The InChIKey is QYSGJPZWCMWJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O2/c1-25-16-7-6-13(19)11-14(16)15-12-17(22-21-15)20-18(24)5-4-10-23-8-2-3-9-23/h6-7,11-12H,2-5,8-10H2,1H3,(H2,20,21,22,24).
What are the key properties of N-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide?
N-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide has a molecular weight of 346.41 g/mol, XLogP of 3.04, 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-ylbutanamide is sourced from PubChem (CID 59173779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).