N-(2-morpholin-4-ylethyl)-1,3-diphenylpyrazole-4-carboxamide

C22H24N4O2 — CID 17469911

IUPACN-(2-morpholin-4-ylethyl)-1,3-diphenylpyrazole-4-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C22H24N4O2/c27-22(23-11-12-25-13-15-28-16-14-25)20-17-26(19-9-5-2-6-10-19)24-21(20)18-7-3-1-4-8-18/h1-10,17H,11-16H2,(H,23,27)
InChIKeyKHTGPYIYICOLJN-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.60
Rot. Bonds6

About N-(2-morpholin-4-ylethyl)-1,3-diphenylpyrazole-4-carboxamide

N-(2-morpholin-4-ylethyl)-1,3-diphenylpyrazole-4-carboxamide (PubChem CID 17469911) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-1,3-diphenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-1,3-diphenylpyrazole-4-carboxamide
PubChem CID17469911
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-(2-morpholin-4-ylethyl)-1,3-diphenylpyrazole-4-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C22H24N4O2/c27-22(23-11-12-25-13-15-28-16-14-25)20-17-26(19-9-5-2-6-10-19)24-21(20)18-7-3-1-4-8-18/h1-10,17H,11-16H2,(H,23,27)
InChIKeyKHTGPYIYICOLJN-UHFFFAOYSA-N
XLogP2.60
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-1,3-diphenylpyrazole-4-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-1,3-diphenylpyrazole-4-carboxamide (CID 17469911) is N-(2-morpholin-4-ylethyl)-1,3-diphenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-1,3-diphenylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-1,3-diphenylpyrazole-4-carboxamide is O=C(NCCN1CCOCC1)c1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-1,3-diphenylpyrazole-4-carboxamide?
The InChIKey is KHTGPYIYICOLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c27-22(23-11-12-25-13-15-28-16-14-25)20-17-26(19-9-5-2-6-10-19)24-21(20)18-7-3-1-4-8-18/h1-10,17H,11-16H2,(H,23,27).
What are the key properties of N-(2-morpholin-4-ylethyl)-1,3-diphenylpyrazole-4-carboxamide?
N-(2-morpholin-4-ylethyl)-1,3-diphenylpyrazole-4-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-1,3-diphenylpyrazole-4-carboxamide is sourced from PubChem (CID 17469911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).