N-(4-morpholin-2-ylphenyl)-1-phenylpyrazole-3-carboxamide

C20H20N4O2 — CID 67239104

IUPACN-(4-morpholin-2-ylphenyl)-1-phenylpyrazole-3-carboxamide
SMILESO=C(Nc1ccc(C2CNCCO2)cc1)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C20H20N4O2/c25-20(18-10-12-24(23-18)17-4-2-1-3-5-17)22-16-8-6-15(7-9-16)19-14-21-11-13-26-19/h1-10,12,19,21H,11,13-14H2,(H,22,25)
InChIKeyHGERVBWCKKJBMC-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.79
Rot. Bonds4

About N-(4-morpholin-2-ylphenyl)-1-phenylpyrazole-3-carboxamide

N-(4-morpholin-2-ylphenyl)-1-phenylpyrazole-3-carboxamide (PubChem CID 67239104) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-(4-morpholin-2-ylphenyl)-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-morpholin-2-ylphenyl)-1-phenylpyrazole-3-carboxamide
PubChem CID67239104
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-(4-morpholin-2-ylphenyl)-1-phenylpyrazole-3-carboxamide
SMILESO=C(Nc1ccc(C2CNCCO2)cc1)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C20H20N4O2/c25-20(18-10-12-24(23-18)17-4-2-1-3-5-17)22-16-8-6-15(7-9-16)19-14-21-11-13-26-19/h1-10,12,19,21H,11,13-14H2,(H,22,25)
InChIKeyHGERVBWCKKJBMC-UHFFFAOYSA-N
XLogP2.79
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-2-ylphenyl)-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-(4-morpholin-2-ylphenyl)-1-phenylpyrazole-3-carboxamide (CID 67239104) is N-(4-morpholin-2-ylphenyl)-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-(4-morpholin-2-ylphenyl)-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-(4-morpholin-2-ylphenyl)-1-phenylpyrazole-3-carboxamide is O=C(Nc1ccc(C2CNCCO2)cc1)c1ccn(-c2ccccc2)n1.
What is the InChIKey of N-(4-morpholin-2-ylphenyl)-1-phenylpyrazole-3-carboxamide?
The InChIKey is HGERVBWCKKJBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c25-20(18-10-12-24(23-18)17-4-2-1-3-5-17)22-16-8-6-15(7-9-16)19-14-21-11-13-26-19/h1-10,12,19,21H,11,13-14H2,(H,22,25).
What are the key properties of N-(4-morpholin-2-ylphenyl)-1-phenylpyrazole-3-carboxamide?
N-(4-morpholin-2-ylphenyl)-1-phenylpyrazole-3-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-2-ylphenyl)-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 67239104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).