N-morpholin-4-yl-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide

C20H22N4O2 — CID 23730233

IUPACN-morpholin-4-yl-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
SMILESO=C(NN1CCOCC1)C1=NN(c2ccccc2)C(c2ccccc2)C1
InChIInChI=1S/C20H22N4O2/c25-20(22-23-11-13-26-14-12-23)18-15-19(16-7-3-1-4-8-16)24(21-18)17-9-5-2-6-10-17/h1-10,19H,11-15H2,(H,22,25)
InChIKeyARFHFKYARHJTKD-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.36
Rot. Bonds4

About N-morpholin-4-yl-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide

N-morpholin-4-yl-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide (PubChem CID 23730233) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-morpholin-4-yl-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide.

Molecular Properties

Compound NameN-morpholin-4-yl-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
PubChem CID23730233
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-morpholin-4-yl-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
SMILESO=C(NN1CCOCC1)C1=NN(c2ccccc2)C(c2ccccc2)C1
InChIInChI=1S/C20H22N4O2/c25-20(22-23-11-13-26-14-12-23)18-15-19(16-7-3-1-4-8-16)24(21-18)17-9-5-2-6-10-17/h1-10,19H,11-15H2,(H,22,25)
InChIKeyARFHFKYARHJTKD-UHFFFAOYSA-N
XLogP2.36
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-morpholin-4-yl-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide?
The IUPAC name of N-morpholin-4-yl-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide (CID 23730233) is N-morpholin-4-yl-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide.
What is the SMILES notation for N-morpholin-4-yl-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide?
The canonical SMILES for N-morpholin-4-yl-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide is O=C(NN1CCOCC1)C1=NN(c2ccccc2)C(c2ccccc2)C1.
What is the InChIKey of N-morpholin-4-yl-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide?
The InChIKey is ARFHFKYARHJTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c25-20(22-23-11-13-26-14-12-23)18-15-19(16-7-3-1-4-8-16)24(21-18)17-9-5-2-6-10-17/h1-10,19H,11-15H2,(H,22,25).
What are the key properties of N-morpholin-4-yl-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide?
N-morpholin-4-yl-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-morpholin-4-yl-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide is sourced from PubChem (CID 23730233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).