N-[(1R)-3-hydroxy-1-phenylpropyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide

C20H21N3O3 — CID 118662966

IUPACN-[(1R)-3-hydroxy-1-phenylpropyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide
SMILESCOc1cc(-c2cn[nH]c2)ccc1C(=O)N[C@H](CCO)c1ccccc1
InChIInChI=1S/C20H21N3O3/c1-26-19-11-15(16-12-21-22-13-16)7-8-17(19)20(25)23-18(9-10-24)14-5-3-2-4-6-14/h2-8,11-13,18,24H,9-10H2,1H3,(H,21,22)(H,23,25)/t18-/m1/s1
InChIKeyGCKIJVYMPZVOFI-GOSISDBHSA-N
MW351.41 g/mol
LogP2.94
Rot. Bonds7

About N-[(1R)-3-hydroxy-1-phenylpropyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide

N-[(1R)-3-hydroxy-1-phenylpropyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide (PubChem CID 118662966) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[(1R)-3-hydroxy-1-phenylpropyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound NameN-[(1R)-3-hydroxy-1-phenylpropyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide
PubChem CID118662966
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-[(1R)-3-hydroxy-1-phenylpropyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide
SMILESCOc1cc(-c2cn[nH]c2)ccc1C(=O)N[C@H](CCO)c1ccccc1
InChIInChI=1S/C20H21N3O3/c1-26-19-11-15(16-12-21-22-13-16)7-8-17(19)20(25)23-18(9-10-24)14-5-3-2-4-6-14/h2-8,11-13,18,24H,9-10H2,1H3,(H,21,22)(H,23,25)/t18-/m1/s1
InChIKeyGCKIJVYMPZVOFI-GOSISDBHSA-N
XLogP2.94
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-3-hydroxy-1-phenylpropyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of N-[(1R)-3-hydroxy-1-phenylpropyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide (CID 118662966) is N-[(1R)-3-hydroxy-1-phenylpropyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for N-[(1R)-3-hydroxy-1-phenylpropyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for N-[(1R)-3-hydroxy-1-phenylpropyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide is COc1cc(-c2cn[nH]c2)ccc1C(=O)N[C@H](CCO)c1ccccc1.
What is the InChIKey of N-[(1R)-3-hydroxy-1-phenylpropyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide?
The InChIKey is GCKIJVYMPZVOFI-GOSISDBHSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-26-19-11-15(16-12-21-22-13-16)7-8-17(19)20(25)23-18(9-10-24)14-5-3-2-4-6-14/h2-8,11-13,18,24H,9-10H2,1H3,(H,21,22)(H,23,25)/t18-/m1/s1.
What are the key properties of N-[(1R)-3-hydroxy-1-phenylpropyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide?
N-[(1R)-3-hydroxy-1-phenylpropyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide has a molecular weight of 351.41 g/mol, XLogP of 2.94, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-3-hydroxy-1-phenylpropyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 118662966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).