N-methyl-N-[2-oxo-2-[2-(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinyl]ethyl]furan-2-carboxamide

C18H17N5O4 — CID 25474956

IUPACN-methyl-N-[2-oxo-2-[2-(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinyl]ethyl]furan-2-carboxamide
SMILESCN(CC(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1)C(=O)c1ccco1
InChIInChI=1S/C18H17N5O4/c1-23(18(26)15-8-5-9-27-15)11-16(24)21-22-17(25)14-10-13(19-20-14)12-6-3-2-4-7-12/h2-10H,11H2,1H3,(H,19,20)(H,21,24)(H,22,25)
InChIKeyMLQGVZSBGIOFAO-UHFFFAOYSA-N
MW367.37 g/mol
LogP1.20
Rot. Bonds5

About N-methyl-N-[2-oxo-2-[2-(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinyl]ethyl]furan-2-carboxamide

N-methyl-N-[2-oxo-2-[2-(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinyl]ethyl]furan-2-carboxamide (PubChem CID 25474956) has the molecular formula C18H17N5O4 and a molecular weight of 367.37 g/mol. Its IUPAC name is N-methyl-N-[2-oxo-2-[2-(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinyl]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-oxo-2-[2-(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinyl]ethyl]furan-2-carboxamide
PubChem CID25474956
Molecular FormulaC18H17N5O4
Molecular Weight367.37 g/mol
Exact Mass367.13
IUPAC NameN-methyl-N-[2-oxo-2-[2-(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinyl]ethyl]furan-2-carboxamide
SMILESCN(CC(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1)C(=O)c1ccco1
InChIInChI=1S/C18H17N5O4/c1-23(18(26)15-8-5-9-27-15)11-16(24)21-22-17(25)14-10-13(19-20-14)12-6-3-2-4-7-12/h2-10H,11H2,1H3,(H,19,20)(H,21,24)(H,22,25)
InChIKeyMLQGVZSBGIOFAO-UHFFFAOYSA-N
XLogP1.20
TPSA120.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-phenyl-N'-propanoyl-1H-pyrazole-5-carbohydrazide
CID 2677236
N-methyl-N-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 43047860
N-[4-methylsulfanyl-1-oxo-1-[2-(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinyl]butan-2-yl]furan-2-carboxamide
CID 24541020
3-phenyl-N'-[2-[3-(trifluoromethyl)phenyl]acetyl]-1H-pyrazole-5-carbohydrazide
CID 7907311
N'-(3-methylsulfanylpropanoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 18164415
N-[2-(diethylamino)-2-oxoethyl]-N-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 39459167
N-methyl-N-[2-oxo-2-[2-(2-phenylethylcarbamoyl)anilino]ethyl]furan-2-carboxamide
CID 35743644
N-benzyl-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 51046454
N'-[2-(2,6-dimethylphenoxy)acetyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 8889318
N-[2-[[(4-fluorophenyl)-phenylmethyl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 55583339
3-[[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]propanoic acid
CID 43170664
N-[2-[[(2R)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 93041382

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-oxo-2-[2-(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinyl]ethyl]furan-2-carboxamide?
The IUPAC name of N-methyl-N-[2-oxo-2-[2-(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinyl]ethyl]furan-2-carboxamide (CID 25474956) is N-methyl-N-[2-oxo-2-[2-(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinyl]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-methyl-N-[2-oxo-2-[2-(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinyl]ethyl]furan-2-carboxamide?
The canonical SMILES for N-methyl-N-[2-oxo-2-[2-(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinyl]ethyl]furan-2-carboxamide is CN(CC(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1)C(=O)c1ccco1.
What is the InChIKey of N-methyl-N-[2-oxo-2-[2-(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinyl]ethyl]furan-2-carboxamide?
The InChIKey is MLQGVZSBGIOFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O4/c1-23(18(26)15-8-5-9-27-15)11-16(24)21-22-17(25)14-10-13(19-20-14)12-6-3-2-4-7-12/h2-10H,11H2,1H3,(H,19,20)(H,21,24)(H,22,25).
What are the key properties of N-methyl-N-[2-oxo-2-[2-(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinyl]ethyl]furan-2-carboxamide?
N-methyl-N-[2-oxo-2-[2-(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinyl]ethyl]furan-2-carboxamide has a molecular weight of 367.37 g/mol, XLogP of 1.20, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-oxo-2-[2-(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinyl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 25474956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).