(3S)-5-N-ethyl-5-N,2-diphenyl-3,4-dihydropyrazole-3,5-dicarboxamide

C19H20N4O2 — CID 51934347

IUPAC(3S)-5-N-ethyl-5-N,2-diphenyl-3,4-dihydropyrazole-3,5-dicarboxamide
SMILESCCN(C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1)c1ccccc1
InChIInChI=1S/C19H20N4O2/c1-2-22(14-9-5-3-6-10-14)19(25)16-13-17(18(20)24)23(21-16)15-11-7-4-8-12-15/h3-12,17H,2,13H2,1H3,(H2,20,24)/t17-/m0/s1
InChIKeyGWXUBMLTPGERIZ-KRWDZBQOSA-N
MW336.40 g/mol
LogP2.16
Rot. Bonds5

About (3S)-5-N-ethyl-5-N,2-diphenyl-3,4-dihydropyrazole-3,5-dicarboxamide

(3S)-5-N-ethyl-5-N,2-diphenyl-3,4-dihydropyrazole-3,5-dicarboxamide (PubChem CID 51934347) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is (3S)-5-N-ethyl-5-N,2-diphenyl-3,4-dihydropyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name(3S)-5-N-ethyl-5-N,2-diphenyl-3,4-dihydropyrazole-3,5-dicarboxamide
PubChem CID51934347
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name(3S)-5-N-ethyl-5-N,2-diphenyl-3,4-dihydropyrazole-3,5-dicarboxamide
SMILESCCN(C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1)c1ccccc1
InChIInChI=1S/C19H20N4O2/c1-2-22(14-9-5-3-6-10-14)19(25)16-13-17(18(20)24)23(21-16)15-11-7-4-8-12-15/h3-12,17H,2,13H2,1H3,(H2,20,24)/t17-/m0/s1
InChIKeyGWXUBMLTPGERIZ-KRWDZBQOSA-N
XLogP2.16
TPSA79.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-5-N-ethyl-5-N,2-diphenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
The IUPAC name of (3S)-5-N-ethyl-5-N,2-diphenyl-3,4-dihydropyrazole-3,5-dicarboxamide (CID 51934347) is (3S)-5-N-ethyl-5-N,2-diphenyl-3,4-dihydropyrazole-3,5-dicarboxamide.
What is the SMILES notation for (3S)-5-N-ethyl-5-N,2-diphenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
The canonical SMILES for (3S)-5-N-ethyl-5-N,2-diphenyl-3,4-dihydropyrazole-3,5-dicarboxamide is CCN(C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1)c1ccccc1.
What is the InChIKey of (3S)-5-N-ethyl-5-N,2-diphenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
The InChIKey is GWXUBMLTPGERIZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-2-22(14-9-5-3-6-10-14)19(25)16-13-17(18(20)24)23(21-16)15-11-7-4-8-12-15/h3-12,17H,2,13H2,1H3,(H2,20,24)/t17-/m0/s1.
What are the key properties of (3S)-5-N-ethyl-5-N,2-diphenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
(3S)-5-N-ethyl-5-N,2-diphenyl-3,4-dihydropyrazole-3,5-dicarboxamide has a molecular weight of 336.40 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-N-ethyl-5-N,2-diphenyl-3,4-dihydropyrazole-3,5-dicarboxamide is sourced from PubChem (CID 51934347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).