N-[(1R,2R)-1,3-dihydroxy-1-phenylpropan-2-yl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide

C20H21N3O4 — CID 118662919

IUPACN-[(1R,2R)-1,3-dihydroxy-1-phenylpropan-2-yl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide
SMILESCOc1cc(-c2cn[nH]c2)ccc1C(=O)N[C@H](CO)[C@H](O)c1ccccc1
InChIInChI=1S/C20H21N3O4/c1-27-18-9-14(15-10-21-22-11-15)7-8-16(18)20(26)23-17(12-24)19(25)13-5-3-2-4-6-13/h2-11,17,19,24-25H,12H2,1H3,(H,21,22)(H,23,26)/t17-,19-/m1/s1
InChIKeyBUHHYYUWCDSWAP-IEBWSBKVSA-N
MW367.41 g/mol
LogP1.91
Rot. Bonds7

About N-[(1R,2R)-1,3-dihydroxy-1-phenylpropan-2-yl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide

N-[(1R,2R)-1,3-dihydroxy-1-phenylpropan-2-yl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide (PubChem CID 118662919) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-[(1R,2R)-1,3-dihydroxy-1-phenylpropan-2-yl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound NameN-[(1R,2R)-1,3-dihydroxy-1-phenylpropan-2-yl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide
PubChem CID118662919
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC NameN-[(1R,2R)-1,3-dihydroxy-1-phenylpropan-2-yl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide
SMILESCOc1cc(-c2cn[nH]c2)ccc1C(=O)N[C@H](CO)[C@H](O)c1ccccc1
InChIInChI=1S/C20H21N3O4/c1-27-18-9-14(15-10-21-22-11-15)7-8-16(18)20(26)23-17(12-24)19(25)13-5-3-2-4-6-13/h2-11,17,19,24-25H,12H2,1H3,(H,21,22)(H,23,26)/t17-,19-/m1/s1
InChIKeyBUHHYYUWCDSWAP-IEBWSBKVSA-N
XLogP1.91
TPSA107.47 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S,2R)-1,3-dihydroxy-1-phenylpropan-2-yl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide
CID 118662921
N-[(1R)-3-hydroxy-1-phenylpropyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide
CID 118662966
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide
CID 118663007
N-[1-(2-fluorophenyl)-2-hydroxy-2-methylpropyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide
CID 118663050
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methoxy-4-(1H-pyrazol-4-yl)benzamide
CID 117075243
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide
CID 90354062
2-methoxy-4-(1H-pyrazol-4-yl)-N-(thiophen-2-ylmethyl)benzamide;2,2,2-trifluoroacetic acid
CID 117075346
N-[(2S,3S)-3,4-dihydroxy-1-phenylbutan-2-yl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide
CID 118662944
5-(3,4-dimethoxyphenyl)-N-(1-hydroxy-3-methylbutan-2-yl)-1H-pyrazole-4-carboxamide
CID 91639554
5-(3,4-dimethoxyphenyl)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-4-carboxamide
CID 100906875
N-(1,3-dihydroxy-1-phenylpropan-2-yl)acetamide
CID 11735943
2,4-dimethoxy-N-[(1S)-1-phenylethyl]benzamide
CID 814199

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-1,3-dihydroxy-1-phenylpropan-2-yl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of N-[(1R,2R)-1,3-dihydroxy-1-phenylpropan-2-yl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide (CID 118662919) is N-[(1R,2R)-1,3-dihydroxy-1-phenylpropan-2-yl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for N-[(1R,2R)-1,3-dihydroxy-1-phenylpropan-2-yl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for N-[(1R,2R)-1,3-dihydroxy-1-phenylpropan-2-yl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide is COc1cc(-c2cn[nH]c2)ccc1C(=O)N[C@H](CO)[C@H](O)c1ccccc1.
What is the InChIKey of N-[(1R,2R)-1,3-dihydroxy-1-phenylpropan-2-yl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide?
The InChIKey is BUHHYYUWCDSWAP-IEBWSBKVSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-27-18-9-14(15-10-21-22-11-15)7-8-16(18)20(26)23-17(12-24)19(25)13-5-3-2-4-6-13/h2-11,17,19,24-25H,12H2,1H3,(H,21,22)(H,23,26)/t17-,19-/m1/s1.
What are the key properties of N-[(1R,2R)-1,3-dihydroxy-1-phenylpropan-2-yl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide?
N-[(1R,2R)-1,3-dihydroxy-1-phenylpropan-2-yl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide has a molecular weight of 367.41 g/mol, XLogP of 1.91, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-1,3-dihydroxy-1-phenylpropan-2-yl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 118662919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).