N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-2-(3-oxo-1H-indazol-2-yl)acetamide

C19H16FN5O2 — CID 131941375

IUPACN-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-2-(3-oxo-1H-indazol-2-yl)acetamide
SMILESO=C(Cn1[nH]c2ccccc2c1=O)NCc1cnn(-c2cccc(F)c2)c1
InChIInChI=1S/C19H16FN5O2/c20-14-4-3-5-15(8-14)24-11-13(10-22-24)9-21-18(26)12-25-19(27)16-6-1-2-7-17(16)23-25/h1-8,10-11,23H,9,12H2,(H,21,26)
InChIKeyROSIOHWDZDACHE-UHFFFAOYSA-N
MW365.37 g/mol
LogP1.97
Rot. Bonds5

About N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-2-(3-oxo-1H-indazol-2-yl)acetamide

N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-2-(3-oxo-1H-indazol-2-yl)acetamide (PubChem CID 131941375) has the molecular formula C19H16FN5O2 and a molecular weight of 365.37 g/mol. Its IUPAC name is N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-2-(3-oxo-1H-indazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-2-(3-oxo-1H-indazol-2-yl)acetamide
PubChem CID131941375
Molecular FormulaC19H16FN5O2
Molecular Weight365.37 g/mol
Exact Mass365.13
IUPAC NameN-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-2-(3-oxo-1H-indazol-2-yl)acetamide
SMILESO=C(Cn1[nH]c2ccccc2c1=O)NCc1cnn(-c2cccc(F)c2)c1
InChIInChI=1S/C19H16FN5O2/c20-14-4-3-5-15(8-14)24-11-13(10-22-24)9-21-18(26)12-25-19(27)16-6-1-2-7-17(16)23-25/h1-8,10-11,23H,9,12H2,(H,21,26)
InChIKeyROSIOHWDZDACHE-UHFFFAOYSA-N
XLogP1.97
TPSA84.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

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Related Compounds

1-[2-[[1-(3-fluorophenyl)pyrazol-4-yl]methylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 70729694
3-(2,5-dioxoimidazolidin-4-yl)-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]propanamide
CID 70767719
N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide
CID 99973189
2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]acetamide
CID 91781842
(2R)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]acetamide
CID 97203341
2-(5-bromo-2-oxo-1-pyridinyl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 37340334
(1S,3R,4R)-4-amino-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-3-hydroxycyclohexane-1-carboxamide;hydrochloride
CID 155938457
(3R)-1-(2-amino-2-oxoethyl)-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]piperidine-3-carboxamide
CID 97151070
N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-4-(2-hydroxyethylsulfanyl)benzamide
CID 86284172
N-benzyl-2-[4-(3-fluorophenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 30564325
N-[(3-fluoro-4-methylphenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 18152786
2-[1-(3-fluorophenyl)pyrazol-4-yl]ethanamine
CID 82282985

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-2-(3-oxo-1H-indazol-2-yl)acetamide?
The IUPAC name of N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-2-(3-oxo-1H-indazol-2-yl)acetamide (CID 131941375) is N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-2-(3-oxo-1H-indazol-2-yl)acetamide.
What is the SMILES notation for N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-2-(3-oxo-1H-indazol-2-yl)acetamide?
The canonical SMILES for N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-2-(3-oxo-1H-indazol-2-yl)acetamide is O=C(Cn1[nH]c2ccccc2c1=O)NCc1cnn(-c2cccc(F)c2)c1.
What is the InChIKey of N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-2-(3-oxo-1H-indazol-2-yl)acetamide?
The InChIKey is ROSIOHWDZDACHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O2/c20-14-4-3-5-15(8-14)24-11-13(10-22-24)9-21-18(26)12-25-19(27)16-6-1-2-7-17(16)23-25/h1-8,10-11,23H,9,12H2,(H,21,26).
What are the key properties of N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-2-(3-oxo-1H-indazol-2-yl)acetamide?
N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-2-(3-oxo-1H-indazol-2-yl)acetamide has a molecular weight of 365.37 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-2-(3-oxo-1H-indazol-2-yl)acetamide is sourced from PubChem (CID 131941375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).