N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-pyrazol-1-ylbenzamide

C22H26N4O2 — CID 121414034

IUPACN-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-pyrazol-1-ylbenzamide
SMILESCCN(CCc1ccc(C(C)(C)O)cn1)C(=O)c1ccccc1-n1cccn1
InChIInChI=1S/C22H26N4O2/c1-4-25(15-12-18-11-10-17(16-23-18)22(2,3)28)21(27)19-8-5-6-9-20(19)26-14-7-13-24-26/h5-11,13-14,16,28H,4,12,15H2,1-3H3
InChIKeyORGJYQXCOPSSLR-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.20
Rot. Bonds7

About N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-pyrazol-1-ylbenzamide

N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-pyrazol-1-ylbenzamide (PubChem CID 121414034) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-pyrazol-1-ylbenzamide
PubChem CID121414034
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-pyrazol-1-ylbenzamide
SMILESCCN(CCc1ccc(C(C)(C)O)cn1)C(=O)c1ccccc1-n1cccn1
InChIInChI=1S/C22H26N4O2/c1-4-25(15-12-18-11-10-17(16-23-18)22(2,3)28)21(27)19-8-5-6-9-20(19)26-14-7-13-24-26/h5-11,13-14,16,28H,4,12,15H2,1-3H3
InChIKeyORGJYQXCOPSSLR-UHFFFAOYSA-N
XLogP3.20
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-pyrazol-1-ylbenzamide?
The IUPAC name of N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-pyrazol-1-ylbenzamide (CID 121414034) is N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-pyrazol-1-ylbenzamide?
The canonical SMILES for N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-pyrazol-1-ylbenzamide is CCN(CCc1ccc(C(C)(C)O)cn1)C(=O)c1ccccc1-n1cccn1.
What is the InChIKey of N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-pyrazol-1-ylbenzamide?
The InChIKey is ORGJYQXCOPSSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-4-25(15-12-18-11-10-17(16-23-18)22(2,3)28)21(27)19-8-5-6-9-20(19)26-14-7-13-24-26/h5-11,13-14,16,28H,4,12,15H2,1-3H3.
What are the key properties of N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-pyrazol-1-ylbenzamide?
N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-pyrazol-1-ylbenzamide has a molecular weight of 378.48 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-pyrazol-1-ylbenzamide is sourced from PubChem (CID 121414034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).