(2R)-N-benzyl-2-phenylmethoxy-N-(1H-pyrazol-5-ylmethyl)propanamide

C21H23N3O2 — CID 95157473

IUPAC(2R)-N-benzyl-2-phenylmethoxy-N-(1H-pyrazol-5-ylmethyl)propanamide
SMILESC[C@@H](OCc1ccccc1)C(=O)N(Cc1ccccc1)Cc1ccn[nH]1
InChIInChI=1S/C21H23N3O2/c1-17(26-16-19-10-6-3-7-11-19)21(25)24(15-20-12-13-22-23-20)14-18-8-4-2-5-9-18/h2-13,17H,14-16H2,1H3,(H,22,23)/t17-/m1/s1
InChIKeyDTIVQGXMBVGFHA-QGZVFWFLSA-N
MW349.43 g/mol
LogP3.54
Rot. Bonds8

About (2R)-N-benzyl-2-phenylmethoxy-N-(1H-pyrazol-5-ylmethyl)propanamide

(2R)-N-benzyl-2-phenylmethoxy-N-(1H-pyrazol-5-ylmethyl)propanamide (PubChem CID 95157473) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is (2R)-N-benzyl-2-phenylmethoxy-N-(1H-pyrazol-5-ylmethyl)propanamide.

Molecular Properties

Compound Name(2R)-N-benzyl-2-phenylmethoxy-N-(1H-pyrazol-5-ylmethyl)propanamide
PubChem CID95157473
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name(2R)-N-benzyl-2-phenylmethoxy-N-(1H-pyrazol-5-ylmethyl)propanamide
SMILESC[C@@H](OCc1ccccc1)C(=O)N(Cc1ccccc1)Cc1ccn[nH]1
InChIInChI=1S/C21H23N3O2/c1-17(26-16-19-10-6-3-7-11-19)21(25)24(15-20-12-13-22-23-20)14-18-8-4-2-5-9-18/h2-13,17H,14-16H2,1H3,(H,22,23)/t17-/m1/s1
InChIKeyDTIVQGXMBVGFHA-QGZVFWFLSA-N
XLogP3.54
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-benzyl-2-methoxy-N-(1H-pyrazol-5-ylmethyl)propanamide
CID 97061659
2-phenylmethoxy-N-(1H-pyrazol-5-ylmethyl)propanamide
CID 47286046
N-benzyl-4,4,4-trifluoro-3-methoxy-N-(1H-pyrazol-5-ylmethyl)butanamide
CID 166240629
N-benzyl-N-(1H-pyrazol-5-ylmethyl)oxirane-2-carboxamide
CID 154879911
N-benzyl-N-ethyl-2-[(3-methoxyphenyl)methoxy]propanamide
CID 86985438
[1-(dibenzylamino)-1-oxopropan-2-yl] 2-phenylacetate
CID 55319467
N-(2-aminoethyl)-N-(2-phenylethyl)-2-phenylmethoxypropanamide;hydrochloride
CID 120886275
N-(1-hydroxypropan-2-yl)-N-methyl-2-phenylmethoxypropanamide
CID 112548097
3-[(3,4-difluorophenyl)methyl-(2-phenylmethoxypropanoyl)amino]propanoic acid
CID 119207847
[(2R)-1-(dibenzylamino)-1-oxopropan-2-yl] 4-hydroxybenzoate
CID 2624891
(2S)-2-(cyclopropylmethoxy)-N-(2-phenylethyl)-N-(pyridin-4-ylmethyl)propanamide
CID 95293193
(2S)-N,N-dibenzyl-2-(2-methoxyphenoxy)propanamide
CID 40742883

Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzyl-2-phenylmethoxy-N-(1H-pyrazol-5-ylmethyl)propanamide?
The IUPAC name of (2R)-N-benzyl-2-phenylmethoxy-N-(1H-pyrazol-5-ylmethyl)propanamide (CID 95157473) is (2R)-N-benzyl-2-phenylmethoxy-N-(1H-pyrazol-5-ylmethyl)propanamide.
What is the SMILES notation for (2R)-N-benzyl-2-phenylmethoxy-N-(1H-pyrazol-5-ylmethyl)propanamide?
The canonical SMILES for (2R)-N-benzyl-2-phenylmethoxy-N-(1H-pyrazol-5-ylmethyl)propanamide is C[C@@H](OCc1ccccc1)C(=O)N(Cc1ccccc1)Cc1ccn[nH]1.
What is the InChIKey of (2R)-N-benzyl-2-phenylmethoxy-N-(1H-pyrazol-5-ylmethyl)propanamide?
The InChIKey is DTIVQGXMBVGFHA-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-17(26-16-19-10-6-3-7-11-19)21(25)24(15-20-12-13-22-23-20)14-18-8-4-2-5-9-18/h2-13,17H,14-16H2,1H3,(H,22,23)/t17-/m1/s1.
What are the key properties of (2R)-N-benzyl-2-phenylmethoxy-N-(1H-pyrazol-5-ylmethyl)propanamide?
(2R)-N-benzyl-2-phenylmethoxy-N-(1H-pyrazol-5-ylmethyl)propanamide has a molecular weight of 349.43 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzyl-2-phenylmethoxy-N-(1H-pyrazol-5-ylmethyl)propanamide is sourced from PubChem (CID 95157473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).