N'-[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carbohydrazide

C16H14F3N5O4 — CID 40619107

IUPACN'-[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carbohydrazide
SMILESCOc1ccc(N2C(=O)C[C@@H](NNC(=O)c3cc(C(F)(F)F)[nH]n3)C2=O)cc1
InChIInChI=1S/C16H14F3N5O4/c1-28-9-4-2-8(3-5-9)24-13(25)7-11(15(24)27)21-23-14(26)10-6-12(22-20-10)16(17,18)19/h2-6,11,21H,7H2,1H3,(H,20,22)(H,23,26)/t11-/m1/s1
InChIKeyFQRWJOFTIRDBDF-LLVKDONJSA-N
MW397.31 g/mol
LogP1.00
Rot. Bonds5

About N'-[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carbohydrazide

N'-[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carbohydrazide (PubChem CID 40619107) has the molecular formula C16H14F3N5O4 and a molecular weight of 397.31 g/mol. Its IUPAC name is N'-[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carbohydrazide.

Molecular Properties

Compound NameN'-[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carbohydrazide
PubChem CID40619107
Molecular FormulaC16H14F3N5O4
Molecular Weight397.31 g/mol
Exact Mass397.10
IUPAC NameN'-[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carbohydrazide
SMILESCOc1ccc(N2C(=O)C[C@@H](NNC(=O)c3cc(C(F)(F)F)[nH]n3)C2=O)cc1
InChIInChI=1S/C16H14F3N5O4/c1-28-9-4-2-8(3-5-9)24-13(25)7-11(15(24)27)21-23-14(26)10-6-12(22-20-10)16(17,18)19/h2-6,11,21H,7H2,1H3,(H,20,22)(H,23,26)/t11-/m1/s1
InChIKeyFQRWJOFTIRDBDF-LLVKDONJSA-N
XLogP1.00
TPSA116.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.31
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N'-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carbohydrazide
CID 686395
tert-butyl N-[[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]carbamate
CID 92542330
3,4-dimethoxy-N'-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 4896092
3,4-dimethoxy-N'-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 7641357
2-hydroxy-N'-[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 1213098
N'-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetohydrazide
CID 4077280
N'-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzohydrazide
CID 7643515
N'-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzohydrazide
CID 4973642
1-(4-methoxyphenyl)-3-[2-(2,3,4,5,6-pentafluorophenyl)hydrazinyl]pyrrolidine-2,5-dione
CID 3799496
3-amino-N'-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carbohydrazide
CID 97301449
(3R)-1-(4-methoxyphenyl)-3-[4-(trifluoromethoxy)anilino]pyrrolidine-2,5-dione
CID 2058986
6-(4-methoxyphenyl)-9-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-6,9-diazaspiro[4.5]decan-7-one
CID 26352681

Frequently Asked Questions

What is the IUPAC name of N'-[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carbohydrazide?
The IUPAC name of N'-[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carbohydrazide (CID 40619107) is N'-[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carbohydrazide.
What is the SMILES notation for N'-[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carbohydrazide?
The canonical SMILES for N'-[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carbohydrazide is COc1ccc(N2C(=O)C[C@@H](NNC(=O)c3cc(C(F)(F)F)[nH]n3)C2=O)cc1.
What is the InChIKey of N'-[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carbohydrazide?
The InChIKey is FQRWJOFTIRDBDF-LLVKDONJSA-N. The full InChI is InChI=1S/C16H14F3N5O4/c1-28-9-4-2-8(3-5-9)24-13(25)7-11(15(24)27)21-23-14(26)10-6-12(22-20-10)16(17,18)19/h2-6,11,21H,7H2,1H3,(H,20,22)(H,23,26)/t11-/m1/s1.
What are the key properties of N'-[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carbohydrazide?
N'-[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carbohydrazide has a molecular weight of 397.31 g/mol, XLogP of 1.00, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carbohydrazide is sourced from PubChem (CID 40619107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).