4-[5-(1-hydroxyethyl)-1H-pyrazol-4-yl]-2-methoxy-N-[1-(3-methoxyphenyl)ethyl]benzamide

C22H25N3O4 — CID 123193539

IUPAC4-[5-(1-hydroxyethyl)-1H-pyrazol-4-yl]-2-methoxy-N-[1-(3-methoxyphenyl)ethyl]benzamide
SMILESCOc1cccc(C(C)NC(=O)c2ccc(-c3cn[nH]c3C(C)O)cc2OC)c1
InChIInChI=1S/C22H25N3O4/c1-13(15-6-5-7-17(10-15)28-3)24-22(27)18-9-8-16(11-20(18)29-4)19-12-23-25-21(19)14(2)26/h5-14,26H,1-4H3,(H,23,25)(H,24,27)
InChIKeyIOEOGHBLHZTMNR-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.64
Rot. Bonds7

About 4-[5-(1-hydroxyethyl)-1H-pyrazol-4-yl]-2-methoxy-N-[1-(3-methoxyphenyl)ethyl]benzamide

4-[5-(1-hydroxyethyl)-1H-pyrazol-4-yl]-2-methoxy-N-[1-(3-methoxyphenyl)ethyl]benzamide (PubChem CID 123193539) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is 4-[5-(1-hydroxyethyl)-1H-pyrazol-4-yl]-2-methoxy-N-[1-(3-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-[5-(1-hydroxyethyl)-1H-pyrazol-4-yl]-2-methoxy-N-[1-(3-methoxyphenyl)ethyl]benzamide
PubChem CID123193539
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name4-[5-(1-hydroxyethyl)-1H-pyrazol-4-yl]-2-methoxy-N-[1-(3-methoxyphenyl)ethyl]benzamide
SMILESCOc1cccc(C(C)NC(=O)c2ccc(-c3cn[nH]c3C(C)O)cc2OC)c1
InChIInChI=1S/C22H25N3O4/c1-13(15-6-5-7-17(10-15)28-3)24-22(27)18-9-8-16(11-20(18)29-4)19-12-23-25-21(19)14(2)26/h5-14,26H,1-4H3,(H,23,25)(H,24,27)
InChIKeyIOEOGHBLHZTMNR-UHFFFAOYSA-N
XLogP3.64
TPSA96.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-cyano-1H-pyrazol-4-yl)-2-methoxy-N-[1-(3-methoxyphenyl)ethyl]benzamide
CID 123934488
2-methoxy-N-[1-(3-methoxyphenyl)ethyl]-4-pyridin-4-ylbenzamide
CID 74430495
[3-methoxy-4-[1-(3-methoxyphenyl)ethylcarbamoyl]phenyl]boronic acid
CID 123598238
2,3-dimethoxy-N-[(1S)-1-(3-methoxyphenyl)ethyl]benzamide
CID 842039
2,4-dimethoxy-N-[(1S)-1-phenylethyl]benzamide
CID 814199
N-[1-(3-methoxyphenyl)ethyl]-2-phenylbenzamide
CID 154835213
3-fluoro-N-[1-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 115645750
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide
CID 118663007
2-bromo-N-[1-(3-methoxyphenyl)ethyl]benzamide
CID 17329704
N-[(1S)-1-(3-methoxyphenyl)ethyl]-5-(4-methylphenyl)pyridine-3-carboxamide
CID 95053218
N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide
CID 46091971
4-(2,6-dimethyl-4-pyridinyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide
CID 68511029

Frequently Asked Questions

What is the IUPAC name of 4-[5-(1-hydroxyethyl)-1H-pyrazol-4-yl]-2-methoxy-N-[1-(3-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 4-[5-(1-hydroxyethyl)-1H-pyrazol-4-yl]-2-methoxy-N-[1-(3-methoxyphenyl)ethyl]benzamide (CID 123193539) is 4-[5-(1-hydroxyethyl)-1H-pyrazol-4-yl]-2-methoxy-N-[1-(3-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 4-[5-(1-hydroxyethyl)-1H-pyrazol-4-yl]-2-methoxy-N-[1-(3-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 4-[5-(1-hydroxyethyl)-1H-pyrazol-4-yl]-2-methoxy-N-[1-(3-methoxyphenyl)ethyl]benzamide is COc1cccc(C(C)NC(=O)c2ccc(-c3cn[nH]c3C(C)O)cc2OC)c1.
What is the InChIKey of 4-[5-(1-hydroxyethyl)-1H-pyrazol-4-yl]-2-methoxy-N-[1-(3-methoxyphenyl)ethyl]benzamide?
The InChIKey is IOEOGHBLHZTMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-13(15-6-5-7-17(10-15)28-3)24-22(27)18-9-8-16(11-20(18)29-4)19-12-23-25-21(19)14(2)26/h5-14,26H,1-4H3,(H,23,25)(H,24,27).
What are the key properties of 4-[5-(1-hydroxyethyl)-1H-pyrazol-4-yl]-2-methoxy-N-[1-(3-methoxyphenyl)ethyl]benzamide?
4-[5-(1-hydroxyethyl)-1H-pyrazol-4-yl]-2-methoxy-N-[1-(3-methoxyphenyl)ethyl]benzamide has a molecular weight of 395.46 g/mol, XLogP of 3.64, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1-hydroxyethyl)-1H-pyrazol-4-yl]-2-methoxy-N-[1-(3-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 123193539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).