(3S)-5-(morpholine-4-carbonyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide

C15H18N4O3 — CID 36619986

IUPAC(3S)-5-(morpholine-4-carbonyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide
SMILESNC(=O)[C@@H]1CC(C(=O)N2CCOCC2)=NN1c1ccccc1
InChIInChI=1S/C15H18N4O3/c16-14(20)13-10-12(15(21)18-6-8-22-9-7-18)17-19(13)11-4-2-1-3-5-11/h1-5,13H,6-10H2,(H2,16,20)/t13-/m0/s1
InChIKeyOKDZKOYQIUPUDJ-ZDUSSCGKSA-N
MW302.33 g/mol
LogP-0.03
Rot. Bonds3

About (3S)-5-(morpholine-4-carbonyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide

(3S)-5-(morpholine-4-carbonyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide (PubChem CID 36619986) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is (3S)-5-(morpholine-4-carbonyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide.

Molecular Properties

Compound Name(3S)-5-(morpholine-4-carbonyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide
PubChem CID36619986
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name(3S)-5-(morpholine-4-carbonyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide
SMILESNC(=O)[C@@H]1CC(C(=O)N2CCOCC2)=NN1c1ccccc1
InChIInChI=1S/C15H18N4O3/c16-14(20)13-10-12(15(21)18-6-8-22-9-7-18)17-19(13)11-4-2-1-3-5-11/h1-5,13H,6-10H2,(H2,16,20)/t13-/m0/s1
InChIKeyOKDZKOYQIUPUDJ-ZDUSSCGKSA-N
XLogP-0.03
TPSA88.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-5-(morpholine-4-carbonyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide?
The IUPAC name of (3S)-5-(morpholine-4-carbonyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide (CID 36619986) is (3S)-5-(morpholine-4-carbonyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide.
What is the SMILES notation for (3S)-5-(morpholine-4-carbonyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide?
The canonical SMILES for (3S)-5-(morpholine-4-carbonyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide is NC(=O)[C@@H]1CC(C(=O)N2CCOCC2)=NN1c1ccccc1.
What is the InChIKey of (3S)-5-(morpholine-4-carbonyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide?
The InChIKey is OKDZKOYQIUPUDJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18N4O3/c16-14(20)13-10-12(15(21)18-6-8-22-9-7-18)17-19(13)11-4-2-1-3-5-11/h1-5,13H,6-10H2,(H2,16,20)/t13-/m0/s1.
What are the key properties of (3S)-5-(morpholine-4-carbonyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide?
(3S)-5-(morpholine-4-carbonyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide has a molecular weight of 302.33 g/mol, XLogP of -0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-(morpholine-4-carbonyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide is sourced from PubChem (CID 36619986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).