2-phenyl-5-N-prop-2-enyl-5-N-(thiophen-2-ylmethyl)-3,4-dihydropyrazole-3,5-dicarboxamide

C19H20N4O2S — CID 42886413

IUPAC2-phenyl-5-N-prop-2-enyl-5-N-(thiophen-2-ylmethyl)-3,4-dihydropyrazole-3,5-dicarboxamide
SMILESC=CCN(Cc1cccs1)C(=O)C1=NN(c2ccccc2)C(C(N)=O)C1
InChIInChI=1S/C19H20N4O2S/c1-2-10-22(13-15-9-6-11-26-15)19(25)16-12-17(18(20)24)23(21-16)14-7-4-3-5-8-14/h2-9,11,17H,1,10,12-13H2,(H2,20,24)
InChIKeyCRCUPIUPVBLIFR-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.38
Rot. Bonds7

About 2-phenyl-5-N-prop-2-enyl-5-N-(thiophen-2-ylmethyl)-3,4-dihydropyrazole-3,5-dicarboxamide

2-phenyl-5-N-prop-2-enyl-5-N-(thiophen-2-ylmethyl)-3,4-dihydropyrazole-3,5-dicarboxamide (PubChem CID 42886413) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 2-phenyl-5-N-prop-2-enyl-5-N-(thiophen-2-ylmethyl)-3,4-dihydropyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name2-phenyl-5-N-prop-2-enyl-5-N-(thiophen-2-ylmethyl)-3,4-dihydropyrazole-3,5-dicarboxamide
PubChem CID42886413
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name2-phenyl-5-N-prop-2-enyl-5-N-(thiophen-2-ylmethyl)-3,4-dihydropyrazole-3,5-dicarboxamide
SMILESC=CCN(Cc1cccs1)C(=O)C1=NN(c2ccccc2)C(C(N)=O)C1
InChIInChI=1S/C19H20N4O2S/c1-2-10-22(13-15-9-6-11-26-15)19(25)16-12-17(18(20)24)23(21-16)14-7-4-3-5-8-14/h2-9,11,17H,1,10,12-13H2,(H2,20,24)
InChIKeyCRCUPIUPVBLIFR-UHFFFAOYSA-N
XLogP2.38
TPSA79.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3S)-2-phenyl-5-N-prop-2-enyl-5-N-(thiophen-2-ylmethyl)-3,4-dihydropyrazole-3,5-dicarboxamide
CID 39999567
(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
2-(2-aminophenyl)sulfanyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 43248896
5-N-methyl-2-phenyl-5-N-(pyridin-3-ylmethyl)-3,4-dihydropyrazole-3,5-dicarboxamide
CID 86924728
2-[(2-phenoxyacetyl)amino]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 31330766
1-piperidin-4-yl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)triazole-4-carboxamide
CID 119689941
7-N-prop-2-enyl-7-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
CID 84595221
4-oxo-3-propan-2-yl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)phthalazine-1-carboxamide
CID 51189856
2-[(5-amino-2-pyridinyl)sulfanyl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 43300968
5-N-benzhydryl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 46577919
(3S)-5-(morpholine-4-carbonyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide
CID 36619986

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-N-prop-2-enyl-5-N-(thiophen-2-ylmethyl)-3,4-dihydropyrazole-3,5-dicarboxamide?
The IUPAC name of 2-phenyl-5-N-prop-2-enyl-5-N-(thiophen-2-ylmethyl)-3,4-dihydropyrazole-3,5-dicarboxamide (CID 42886413) is 2-phenyl-5-N-prop-2-enyl-5-N-(thiophen-2-ylmethyl)-3,4-dihydropyrazole-3,5-dicarboxamide.
What is the SMILES notation for 2-phenyl-5-N-prop-2-enyl-5-N-(thiophen-2-ylmethyl)-3,4-dihydropyrazole-3,5-dicarboxamide?
The canonical SMILES for 2-phenyl-5-N-prop-2-enyl-5-N-(thiophen-2-ylmethyl)-3,4-dihydropyrazole-3,5-dicarboxamide is C=CCN(Cc1cccs1)C(=O)C1=NN(c2ccccc2)C(C(N)=O)C1.
What is the InChIKey of 2-phenyl-5-N-prop-2-enyl-5-N-(thiophen-2-ylmethyl)-3,4-dihydropyrazole-3,5-dicarboxamide?
The InChIKey is CRCUPIUPVBLIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-2-10-22(13-15-9-6-11-26-15)19(25)16-12-17(18(20)24)23(21-16)14-7-4-3-5-8-14/h2-9,11,17H,1,10,12-13H2,(H2,20,24).
What are the key properties of 2-phenyl-5-N-prop-2-enyl-5-N-(thiophen-2-ylmethyl)-3,4-dihydropyrazole-3,5-dicarboxamide?
2-phenyl-5-N-prop-2-enyl-5-N-(thiophen-2-ylmethyl)-3,4-dihydropyrazole-3,5-dicarboxamide has a molecular weight of 368.46 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-N-prop-2-enyl-5-N-(thiophen-2-ylmethyl)-3,4-dihydropyrazole-3,5-dicarboxamide is sourced from PubChem (CID 42886413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).