N-[1-[(2S)-3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-2,2-diphenylacetamide

C22H26N4O2 — CID 97254628

IUPACN-[1-[(2S)-3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-2,2-diphenylacetamide
SMILESCN(C)C[C@H](O)Cn1cc(NC(=O)C(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C22H26N4O2/c1-25(2)15-20(27)16-26-14-19(13-23-26)24-22(28)21(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-14,20-21,27H,15-16H2,1-2H3,(H,24,28)/t20-/m0/s1
InChIKeyDLYRRGQKSPVDLC-FQEVSTJZSA-N
MW378.48 g/mol
LogP2.58
Rot. Bonds8

About N-[1-[(2S)-3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-2,2-diphenylacetamide

N-[1-[(2S)-3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-2,2-diphenylacetamide (PubChem CID 97254628) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-[1-[(2S)-3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[1-[(2S)-3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-2,2-diphenylacetamide
PubChem CID97254628
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-[1-[(2S)-3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-2,2-diphenylacetamide
SMILESCN(C)C[C@H](O)Cn1cc(NC(=O)C(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C22H26N4O2/c1-25(2)15-20(27)16-26-14-19(13-23-26)24-22(28)21(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-14,20-21,27H,15-16H2,1-2H3,(H,24,28)/t20-/m0/s1
InChIKeyDLYRRGQKSPVDLC-FQEVSTJZSA-N
XLogP2.58
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2S)-3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-2,2-diphenylacetamide?
The IUPAC name of N-[1-[(2S)-3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-2,2-diphenylacetamide (CID 97254628) is N-[1-[(2S)-3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[1-[(2S)-3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-2,2-diphenylacetamide?
The canonical SMILES for N-[1-[(2S)-3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-2,2-diphenylacetamide is CN(C)C[C@H](O)Cn1cc(NC(=O)C(c2ccccc2)c2ccccc2)cn1.
What is the InChIKey of N-[1-[(2S)-3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-2,2-diphenylacetamide?
The InChIKey is DLYRRGQKSPVDLC-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-25(2)15-20(27)16-26-14-19(13-23-26)24-22(28)21(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-14,20-21,27H,15-16H2,1-2H3,(H,24,28)/t20-/m0/s1.
What are the key properties of N-[1-[(2S)-3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-2,2-diphenylacetamide?
N-[1-[(2S)-3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-2,2-diphenylacetamide has a molecular weight of 378.48 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2S)-3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-2,2-diphenylacetamide is sourced from PubChem (CID 97254628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).