N-[3-hydroxy-1-oxo-1-[(5-phenyl-1H-pyrazol-3-yl)amino]propan-2-yl]-3-methoxybenzamide

C20H20N4O4 — CID 3329114

IUPACN-[3-hydroxy-1-oxo-1-[(5-phenyl-1H-pyrazol-3-yl)amino]propan-2-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC(CO)C(=O)Nc2cc(-c3ccccc3)[nH]n2)c1
InChIInChI=1S/C20H20N4O4/c1-28-15-9-5-8-14(10-15)19(26)21-17(12-25)20(27)22-18-11-16(23-24-18)13-6-3-2-4-7-13/h2-11,17,25H,12H2,1H3,(H,21,26)(H2,22,23,24,27)
InChIKeyJLEYIVXAJNBZHF-UHFFFAOYSA-N
MW380.40 g/mol
LogP1.81
Rot. Bonds7

About N-[3-hydroxy-1-oxo-1-[(5-phenyl-1H-pyrazol-3-yl)amino]propan-2-yl]-3-methoxybenzamide

N-[3-hydroxy-1-oxo-1-[(5-phenyl-1H-pyrazol-3-yl)amino]propan-2-yl]-3-methoxybenzamide (PubChem CID 3329114) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is N-[3-hydroxy-1-oxo-1-[(5-phenyl-1H-pyrazol-3-yl)amino]propan-2-yl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[3-hydroxy-1-oxo-1-[(5-phenyl-1H-pyrazol-3-yl)amino]propan-2-yl]-3-methoxybenzamide
PubChem CID3329114
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC NameN-[3-hydroxy-1-oxo-1-[(5-phenyl-1H-pyrazol-3-yl)amino]propan-2-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC(CO)C(=O)Nc2cc(-c3ccccc3)[nH]n2)c1
InChIInChI=1S/C20H20N4O4/c1-28-15-9-5-8-14(10-15)19(26)21-17(12-25)20(27)22-18-11-16(23-24-18)13-6-3-2-4-7-13/h2-11,17,25H,12H2,1H3,(H,21,26)(H2,22,23,24,27)
InChIKeyJLEYIVXAJNBZHF-UHFFFAOYSA-N
XLogP1.81
TPSA116.34 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 51.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-Methoxybenzyl)-4-(5-methyl-1H-pyrazol-3-ylamino)-2Hphthalazin-1-one
CID 11617466
2-[2-(3-Methoxyphenyl)-2-oxoethyl]-4-(5-methyl-1H-pyrazol-3-ylamino)-2H-phthalazin-1-one
CID 21106464
2-isopropyl-7-(2-methoxyethoxy)-4-(5-methyl-1H-pyrazol-3-ylamino)phthalazin-1(2H)-one
CID 24753585
N-(5-methyl-1H-pyrazol-3-yl)-3-phenoxybenzamide
CID 2360970
N-{1-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-3-yl}-3-(trifluoromethoxy)benzamide
CID 91888103
7-(2-(dimethylamino)ethoxy)-2-isopropyl-4-(5-methyl-1H-pyrazol-3-ylamino)phthalazin-1(2H)-one
CID 24753686
N-[5-[(3-methoxyphenyl)methyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]benzamide
CID 164617379
2-fluoro-N-{1-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-3-yl}benzamide
CID 91887918
N-{1-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-4-yl}-3,5-dimethoxybenzamide
CID 75528468
1-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-4-[3-(trifluoromethoxy)benzoyl]piperazine
CID 91887728
3-fluoro-4-methoxy-N-[1-(3-phenyl-1H-pyrazol-5-yl)piperidin-3-yl]benzamide
CID 91887778
N-{1-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-3-yl}-3,5-dimethoxybenzamide
CID 91887854

Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-1-oxo-1-[(5-phenyl-1H-pyrazol-3-yl)amino]propan-2-yl]-3-methoxybenzamide?
The IUPAC name of N-[3-hydroxy-1-oxo-1-[(5-phenyl-1H-pyrazol-3-yl)amino]propan-2-yl]-3-methoxybenzamide (CID 3329114) is N-[3-hydroxy-1-oxo-1-[(5-phenyl-1H-pyrazol-3-yl)amino]propan-2-yl]-3-methoxybenzamide.
What is the SMILES notation for N-[3-hydroxy-1-oxo-1-[(5-phenyl-1H-pyrazol-3-yl)amino]propan-2-yl]-3-methoxybenzamide?
The canonical SMILES for N-[3-hydroxy-1-oxo-1-[(5-phenyl-1H-pyrazol-3-yl)amino]propan-2-yl]-3-methoxybenzamide is COc1cccc(C(=O)NC(CO)C(=O)Nc2cc(-c3ccccc3)[nH]n2)c1.
What is the InChIKey of N-[3-hydroxy-1-oxo-1-[(5-phenyl-1H-pyrazol-3-yl)amino]propan-2-yl]-3-methoxybenzamide?
The InChIKey is JLEYIVXAJNBZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-28-15-9-5-8-14(10-15)19(26)21-17(12-25)20(27)22-18-11-16(23-24-18)13-6-3-2-4-7-13/h2-11,17,25H,12H2,1H3,(H,21,26)(H2,22,23,24,27).
What are the key properties of N-[3-hydroxy-1-oxo-1-[(5-phenyl-1H-pyrazol-3-yl)amino]propan-2-yl]-3-methoxybenzamide?
N-[3-hydroxy-1-oxo-1-[(5-phenyl-1H-pyrazol-3-yl)amino]propan-2-yl]-3-methoxybenzamide has a molecular weight of 380.40 g/mol, XLogP of 1.81, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-1-oxo-1-[(5-phenyl-1H-pyrazol-3-yl)amino]propan-2-yl]-3-methoxybenzamide is sourced from PubChem (CID 3329114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).