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

C19H25FN4O2 — CID 59173909

IUPACN-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
SMILESCOc1ccc(F)cc1-c1cc(NC(=O)CCCN2CCCCC2)n[nH]1
InChIInChI=1S/C19H25FN4O2/c1-26-17-8-7-14(20)12-15(17)16-13-18(23-22-16)21-19(25)6-5-11-24-9-3-2-4-10-24/h7-8,12-13H,2-6,9-11H2,1H3,(H2,21,22,23,25)
InChIKeyUFYJNRHXKVBEFK-UHFFFAOYSA-N
MW360.43 g/mol
LogP3.43
Rot. Bonds7

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

N-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide (PubChem CID 59173909) 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-piperidin-1-ylbutanamide.

Molecular Properties

Compound NameN-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
PubChem CID59173909
Molecular FormulaC19H25FN4O2
Molecular Weight360.43 g/mol
Exact Mass360.20
IUPAC NameN-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
SMILESCOc1ccc(F)cc1-c1cc(NC(=O)CCCN2CCCCC2)n[nH]1
InChIInChI=1S/C19H25FN4O2/c1-26-17-8-7-14(20)12-15(17)16-13-18(23-22-16)21-19(25)6-5-11-24-9-3-2-4-10-24/h7-8,12-13H,2-6,9-11H2,1H3,(H2,21,22,23,25)
InChIKeyUFYJNRHXKVBEFK-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-piperidin-1-ylbutanamide?
The IUPAC name of N-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide (CID 59173909) is N-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide.
What is the SMILES notation for N-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide?
The canonical SMILES for N-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide is COc1ccc(F)cc1-c1cc(NC(=O)CCCN2CCCCC2)n[nH]1.
What is the InChIKey of N-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide?
The InChIKey is UFYJNRHXKVBEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O2/c1-26-17-8-7-14(20)12-15(17)16-13-18(23-22-16)21-19(25)6-5-11-24-9-3-2-4-10-24/h7-8,12-13H,2-6,9-11H2,1H3,(H2,21,22,23,25).
What are the key properties of N-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide?
N-[5-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide 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-piperidin-1-ylbutanamide is sourced from PubChem (CID 59173909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).