2-(4,5-diphenylpyrazol-1-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]acetamide

C32H31N5O2 — CID 46881797

IUPAC2-(4,5-diphenylpyrazol-1-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]acetamide
SMILESO=C(Cn1ncc(-c2ccccc2)c1-c1ccccc1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
InChIInChI=1S/C32H31N5O2/c38-30(27-12-7-18-33-20-27)22-34-19-17-24-13-15-28(16-14-24)36-31(39)23-37-32(26-10-5-2-6-11-26)29(21-35-37)25-8-3-1-4-9-25/h1-16,18,20-21,30,34,38H,17,19,22-23H2,(H,36,39)/t30-/m0/s1
InChIKeyCWHICZHLMPSAEJ-PMERELPUSA-N
MW517.63 g/mol
LogP5.12
Rot. Bonds11

About 2-(4,5-diphenylpyrazol-1-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]acetamide

2-(4,5-diphenylpyrazol-1-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]acetamide (PubChem CID 46881797) has the molecular formula C32H31N5O2 and a molecular weight of 517.63 g/mol. Its IUPAC name is 2-(4,5-diphenylpyrazol-1-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4,5-diphenylpyrazol-1-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]acetamide
PubChem CID46881797
Molecular FormulaC32H31N5O2
Molecular Weight517.63 g/mol
Exact Mass517.25
IUPAC Name2-(4,5-diphenylpyrazol-1-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]acetamide
SMILESO=C(Cn1ncc(-c2ccccc2)c1-c1ccccc1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
InChIInChI=1S/C32H31N5O2/c38-30(27-12-7-18-33-20-27)22-34-19-17-24-13-15-28(16-14-24)36-31(39)23-37-32(26-10-5-2-6-11-26)29(21-35-37)25-8-3-1-4-9-25/h1-16,18,20-21,30,34,38H,17,19,22-23H2,(H,36,39)/t30-/m0/s1
InChIKeyCWHICZHLMPSAEJ-PMERELPUSA-N
XLogP5.12
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.63
LogP ≤ 55.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-diphenylpyrazol-1-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]acetamide?
The IUPAC name of 2-(4,5-diphenylpyrazol-1-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]acetamide (CID 46881797) is 2-(4,5-diphenylpyrazol-1-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]acetamide.
What is the SMILES notation for 2-(4,5-diphenylpyrazol-1-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]acetamide?
The canonical SMILES for 2-(4,5-diphenylpyrazol-1-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]acetamide is O=C(Cn1ncc(-c2ccccc2)c1-c1ccccc1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1.
What is the InChIKey of 2-(4,5-diphenylpyrazol-1-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]acetamide?
The InChIKey is CWHICZHLMPSAEJ-PMERELPUSA-N. The full InChI is InChI=1S/C32H31N5O2/c38-30(27-12-7-18-33-20-27)22-34-19-17-24-13-15-28(16-14-24)36-31(39)23-37-32(26-10-5-2-6-11-26)29(21-35-37)25-8-3-1-4-9-25/h1-16,18,20-21,30,34,38H,17,19,22-23H2,(H,36,39)/t30-/m0/s1.
What are the key properties of 2-(4,5-diphenylpyrazol-1-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]acetamide?
2-(4,5-diphenylpyrazol-1-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]acetamide has a molecular weight of 517.63 g/mol, XLogP of 5.12, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-diphenylpyrazol-1-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]acetamide is sourced from PubChem (CID 46881797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).