N-[3-[[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]carbamoyl]phenyl]oxolane-2-carboxamide

C22H21N5O5 — CID 46643393

IUPACN-[3-[[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]carbamoyl]phenyl]oxolane-2-carboxamide
SMILESO=C(NNC(=O)c1nn(-c2ccccc2)cc1O)c1cccc(NC(=O)C2CCCO2)c1
InChIInChI=1S/C22H21N5O5/c28-17-13-27(16-8-2-1-3-9-16)26-19(17)22(31)25-24-20(29)14-6-4-7-15(12-14)23-21(30)18-10-5-11-32-18/h1-4,6-9,12-13,18,28H,5,10-11H2,(H,23,30)(H,24,29)(H,25,31)
InChIKeyCFLGBQQXERYXKB-UHFFFAOYSA-N
MW435.44 g/mol
LogP1.77
Rot. Bonds5

About N-[3-[[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]carbamoyl]phenyl]oxolane-2-carboxamide

N-[3-[[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]carbamoyl]phenyl]oxolane-2-carboxamide (PubChem CID 46643393) has the molecular formula C22H21N5O5 and a molecular weight of 435.44 g/mol. Its IUPAC name is N-[3-[[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]carbamoyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]carbamoyl]phenyl]oxolane-2-carboxamide
PubChem CID46643393
Molecular FormulaC22H21N5O5
Molecular Weight435.44 g/mol
Exact Mass435.15
IUPAC NameN-[3-[[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]carbamoyl]phenyl]oxolane-2-carboxamide
SMILESO=C(NNC(=O)c1nn(-c2ccccc2)cc1O)c1cccc(NC(=O)C2CCCO2)c1
InChIInChI=1S/C22H21N5O5/c28-17-13-27(16-8-2-1-3-9-16)26-19(17)22(31)25-24-20(29)14-6-4-7-15(12-14)23-21(30)18-10-5-11-32-18/h1-4,6-9,12-13,18,28H,5,10-11H2,(H,23,30)(H,24,29)(H,25,31)
InChIKeyCFLGBQQXERYXKB-UHFFFAOYSA-N
XLogP1.77
TPSA134.58 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.44
LogP ≤ 51.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[[(2S)-oxolane-2-carbonyl]amino]benzoic acid
CID 839554
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
N-[3-(benzylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 2971215
3-[[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]carbamoyl]benzoic acid
CID 2231825
N-phenyloxolane-2-carboxamide
CID 3453643
(2S)-N-[3-[(2-iodophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 31700256
N-[3-[(3-iodophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 42943923
N-[3-[(3-fluorophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 46634846
(2S)-N-[3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 32678870
N-(3-pyrrolidin-1-ylphenyl)oxolane-2-carboxamide
CID 47255294
(2R)-N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 9466733
(2S)-N-[3-[(4-iodophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 32800947

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]carbamoyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[3-[[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]carbamoyl]phenyl]oxolane-2-carboxamide (CID 46643393) is N-[3-[[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]carbamoyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[3-[[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]carbamoyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[3-[[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]carbamoyl]phenyl]oxolane-2-carboxamide is O=C(NNC(=O)c1nn(-c2ccccc2)cc1O)c1cccc(NC(=O)C2CCCO2)c1.
What is the InChIKey of N-[3-[[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]carbamoyl]phenyl]oxolane-2-carboxamide?
The InChIKey is CFLGBQQXERYXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O5/c28-17-13-27(16-8-2-1-3-9-16)26-19(17)22(31)25-24-20(29)14-6-4-7-15(12-14)23-21(30)18-10-5-11-32-18/h1-4,6-9,12-13,18,28H,5,10-11H2,(H,23,30)(H,24,29)(H,25,31).
What are the key properties of N-[3-[[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]carbamoyl]phenyl]oxolane-2-carboxamide?
N-[3-[[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]carbamoyl]phenyl]oxolane-2-carboxamide has a molecular weight of 435.44 g/mol, XLogP of 1.77, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]carbamoyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 46643393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).