(3R)-2-phenyl-5-N-(2-thiophen-3-ylethyl)-3,4-dihydropyrazole-3,5-dicarboxamide

C17H18N4O2S — CID 51938051

IUPAC(3R)-2-phenyl-5-N-(2-thiophen-3-ylethyl)-3,4-dihydropyrazole-3,5-dicarboxamide
SMILESNC(=O)[C@H]1CC(C(=O)NCCc2ccsc2)=NN1c1ccccc1
InChIInChI=1S/C17H18N4O2S/c18-16(22)15-10-14(20-21(15)13-4-2-1-3-5-13)17(23)19-8-6-12-7-9-24-11-12/h1-5,7,9,11,15H,6,8,10H2,(H2,18,22)(H,19,23)/t15-/m1/s1
InChIKeyVUCQFDZPUYYDBM-OAHLLOKOSA-N
MW342.42 g/mol
LogP1.53
Rot. Bonds6

About (3R)-2-phenyl-5-N-(2-thiophen-3-ylethyl)-3,4-dihydropyrazole-3,5-dicarboxamide

(3R)-2-phenyl-5-N-(2-thiophen-3-ylethyl)-3,4-dihydropyrazole-3,5-dicarboxamide (PubChem CID 51938051) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is (3R)-2-phenyl-5-N-(2-thiophen-3-ylethyl)-3,4-dihydropyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name(3R)-2-phenyl-5-N-(2-thiophen-3-ylethyl)-3,4-dihydropyrazole-3,5-dicarboxamide
PubChem CID51938051
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name(3R)-2-phenyl-5-N-(2-thiophen-3-ylethyl)-3,4-dihydropyrazole-3,5-dicarboxamide
SMILESNC(=O)[C@H]1CC(C(=O)NCCc2ccsc2)=NN1c1ccccc1
InChIInChI=1S/C17H18N4O2S/c18-16(22)15-10-14(20-21(15)13-4-2-1-3-5-13)17(23)19-8-6-12-7-9-24-11-12/h1-5,7,9,11,15H,6,8,10H2,(H2,18,22)(H,19,23)/t15-/m1/s1
InChIKeyVUCQFDZPUYYDBM-OAHLLOKOSA-N
XLogP1.53
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-5-N-methyl-2-phenyl-5-N-(thiophen-3-ylmethyl)-3,4-dihydropyrazole-3,5-dicarboxamide
CID 51932851
(3R)-5-N-methyl-2-phenyl-5-N-(thiophen-3-ylmethyl)-3,4-dihydropyrazole-3,5-dicarboxamide
CID 51932852
(3R)-5-N-(furan-3-ylmethyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 94066190
(3S)-5-N-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 52509242
5-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 43066120
(3S)-5-N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 94562873
5-N-benzhydryl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 46577919
2-phenyl-5-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]-3,4-dihydropyrazole-3,5-dicarboxamide
CID 46434400
(3S)-5-N-[2-(methylcarbamoyl)phenyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 39999608
5-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 46566773
N-(2-thiophen-3-ylethyl)pyrimidine-2-carboxamide
CID 170939358
(3R)-2-phenyl-5-N-(1H-pyrazol-5-yl)-3,4-dihydropyrazole-3,5-dicarboxamide
CID 95583461

Frequently Asked Questions

What is the IUPAC name of (3R)-2-phenyl-5-N-(2-thiophen-3-ylethyl)-3,4-dihydropyrazole-3,5-dicarboxamide?
The IUPAC name of (3R)-2-phenyl-5-N-(2-thiophen-3-ylethyl)-3,4-dihydropyrazole-3,5-dicarboxamide (CID 51938051) is (3R)-2-phenyl-5-N-(2-thiophen-3-ylethyl)-3,4-dihydropyrazole-3,5-dicarboxamide.
What is the SMILES notation for (3R)-2-phenyl-5-N-(2-thiophen-3-ylethyl)-3,4-dihydropyrazole-3,5-dicarboxamide?
The canonical SMILES for (3R)-2-phenyl-5-N-(2-thiophen-3-ylethyl)-3,4-dihydropyrazole-3,5-dicarboxamide is NC(=O)[C@H]1CC(C(=O)NCCc2ccsc2)=NN1c1ccccc1.
What is the InChIKey of (3R)-2-phenyl-5-N-(2-thiophen-3-ylethyl)-3,4-dihydropyrazole-3,5-dicarboxamide?
The InChIKey is VUCQFDZPUYYDBM-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H18N4O2S/c18-16(22)15-10-14(20-21(15)13-4-2-1-3-5-13)17(23)19-8-6-12-7-9-24-11-12/h1-5,7,9,11,15H,6,8,10H2,(H2,18,22)(H,19,23)/t15-/m1/s1.
What are the key properties of (3R)-2-phenyl-5-N-(2-thiophen-3-ylethyl)-3,4-dihydropyrazole-3,5-dicarboxamide?
(3R)-2-phenyl-5-N-(2-thiophen-3-ylethyl)-3,4-dihydropyrazole-3,5-dicarboxamide has a molecular weight of 342.42 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-phenyl-5-N-(2-thiophen-3-ylethyl)-3,4-dihydropyrazole-3,5-dicarboxamide is sourced from PubChem (CID 51938051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).