N-ethyl-N-(2-hydroxyethyl)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide

C20H23N3O2 — CID 78855099

IUPACN-ethyl-N-(2-hydroxyethyl)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
SMILESCCN(CCO)C(=O)C1=NN(c2ccccc2)C(c2ccccc2)C1
InChIInChI=1S/C20H23N3O2/c1-2-22(13-14-24)20(25)18-15-19(16-9-5-3-6-10-16)23(21-18)17-11-7-4-8-12-17/h3-12,19,24H,2,13-15H2,1H3
InChIKeyRSGKXVQDXVKBSF-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.83
Rot. Bonds6

About N-ethyl-N-(2-hydroxyethyl)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide

N-ethyl-N-(2-hydroxyethyl)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide (PubChem CID 78855099) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxyethyl)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxyethyl)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
PubChem CID78855099
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-ethyl-N-(2-hydroxyethyl)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
SMILESCCN(CCO)C(=O)C1=NN(c2ccccc2)C(c2ccccc2)C1
InChIInChI=1S/C20H23N3O2/c1-2-22(13-14-24)20(25)18-15-19(16-9-5-3-6-10-16)23(21-18)17-11-7-4-8-12-17/h3-12,19,24H,2,13-15H2,1H3
InChIKeyRSGKXVQDXVKBSF-UHFFFAOYSA-N
XLogP2.83
TPSA56.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxyethyl)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide?
The IUPAC name of N-ethyl-N-(2-hydroxyethyl)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide (CID 78855099) is N-ethyl-N-(2-hydroxyethyl)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxyethyl)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide?
The canonical SMILES for N-ethyl-N-(2-hydroxyethyl)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide is CCN(CCO)C(=O)C1=NN(c2ccccc2)C(c2ccccc2)C1.
What is the InChIKey of N-ethyl-N-(2-hydroxyethyl)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide?
The InChIKey is RSGKXVQDXVKBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-2-22(13-14-24)20(25)18-15-19(16-9-5-3-6-10-16)23(21-18)17-11-7-4-8-12-17/h3-12,19,24H,2,13-15H2,1H3.
What are the key properties of N-ethyl-N-(2-hydroxyethyl)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide?
N-ethyl-N-(2-hydroxyethyl)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxyethyl)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide is sourced from PubChem (CID 78855099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).