(3S)-N-[5-(2-fluoro-5-methylphenyl)-1H-pyrazol-3-yl]-4-methylmorpholine-3-carboxamide

C16H19FN4O2 — CID 129359249

IUPAC(3S)-N-[5-(2-fluoro-5-methylphenyl)-1H-pyrazol-3-yl]-4-methylmorpholine-3-carboxamide
SMILESCc1ccc(F)c(-c2cc(NC(=O)[C@@H]3COCCN3C)n[nH]2)c1
InChIInChI=1S/C16H19FN4O2/c1-10-3-4-12(17)11(7-10)13-8-15(20-19-13)18-16(22)14-9-23-6-5-21(14)2/h3-4,7-8,14H,5-6,9H2,1-2H3,(H2,18,19,20,22)/t14-/m0/s1
InChIKeyQNSGSQONVZQREW-AWEZNQCLSA-N
MW318.35 g/mol
LogP1.79
Rot. Bonds3

About (3S)-N-[5-(2-fluoro-5-methylphenyl)-1H-pyrazol-3-yl]-4-methylmorpholine-3-carboxamide

(3S)-N-[5-(2-fluoro-5-methylphenyl)-1H-pyrazol-3-yl]-4-methylmorpholine-3-carboxamide (PubChem CID 129359249) has the molecular formula C16H19FN4O2 and a molecular weight of 318.35 g/mol. Its IUPAC name is (3S)-N-[5-(2-fluoro-5-methylphenyl)-1H-pyrazol-3-yl]-4-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[5-(2-fluoro-5-methylphenyl)-1H-pyrazol-3-yl]-4-methylmorpholine-3-carboxamide
PubChem CID129359249
Molecular FormulaC16H19FN4O2
Molecular Weight318.35 g/mol
Exact Mass318.15
IUPAC Name(3S)-N-[5-(2-fluoro-5-methylphenyl)-1H-pyrazol-3-yl]-4-methylmorpholine-3-carboxamide
SMILESCc1ccc(F)c(-c2cc(NC(=O)[C@@H]3COCCN3C)n[nH]2)c1
InChIInChI=1S/C16H19FN4O2/c1-10-3-4-12(17)11(7-10)13-8-15(20-19-13)18-16(22)14-9-23-6-5-21(14)2/h3-4,7-8,14H,5-6,9H2,1-2H3,(H2,18,19,20,22)/t14-/m0/s1
InChIKeyQNSGSQONVZQREW-AWEZNQCLSA-N
XLogP1.79
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[5-(2-fluoro-5-methylphenyl)-1H-pyrazol-3-yl]-4-methylmorpholine-3-carboxamide?
The IUPAC name of (3S)-N-[5-(2-fluoro-5-methylphenyl)-1H-pyrazol-3-yl]-4-methylmorpholine-3-carboxamide (CID 129359249) is (3S)-N-[5-(2-fluoro-5-methylphenyl)-1H-pyrazol-3-yl]-4-methylmorpholine-3-carboxamide.
What is the SMILES notation for (3S)-N-[5-(2-fluoro-5-methylphenyl)-1H-pyrazol-3-yl]-4-methylmorpholine-3-carboxamide?
The canonical SMILES for (3S)-N-[5-(2-fluoro-5-methylphenyl)-1H-pyrazol-3-yl]-4-methylmorpholine-3-carboxamide is Cc1ccc(F)c(-c2cc(NC(=O)[C@@H]3COCCN3C)n[nH]2)c1.
What is the InChIKey of (3S)-N-[5-(2-fluoro-5-methylphenyl)-1H-pyrazol-3-yl]-4-methylmorpholine-3-carboxamide?
The InChIKey is QNSGSQONVZQREW-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H19FN4O2/c1-10-3-4-12(17)11(7-10)13-8-15(20-19-13)18-16(22)14-9-23-6-5-21(14)2/h3-4,7-8,14H,5-6,9H2,1-2H3,(H2,18,19,20,22)/t14-/m0/s1.
What are the key properties of (3S)-N-[5-(2-fluoro-5-methylphenyl)-1H-pyrazol-3-yl]-4-methylmorpholine-3-carboxamide?
(3S)-N-[5-(2-fluoro-5-methylphenyl)-1H-pyrazol-3-yl]-4-methylmorpholine-3-carboxamide has a molecular weight of 318.35 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[5-(2-fluoro-5-methylphenyl)-1H-pyrazol-3-yl]-4-methylmorpholine-3-carboxamide is sourced from PubChem (CID 129359249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).