3-(4-fluorophenyl)-N-phenylmethoxypyrazolidine-4-carboxamide

C17H18FN3O2 — CID 74760091

IUPAC3-(4-fluorophenyl)-N-phenylmethoxypyrazolidine-4-carboxamide
SMILESO=C(NOCc1ccccc1)C1CNNC1c1ccc(F)cc1
InChIInChI=1S/C17H18FN3O2/c18-14-8-6-13(7-9-14)16-15(10-19-20-16)17(22)21-23-11-12-4-2-1-3-5-12/h1-9,15-16,19-20H,10-11H2,(H,21,22)
InChIKeyILDUDCZOXNIHHQ-UHFFFAOYSA-N
MW315.35 g/mol
LogP1.84
Rot. Bonds5

About 3-(4-fluorophenyl)-N-phenylmethoxypyrazolidine-4-carboxamide

3-(4-fluorophenyl)-N-phenylmethoxypyrazolidine-4-carboxamide (PubChem CID 74760091) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-phenylmethoxypyrazolidine-4-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-phenylmethoxypyrazolidine-4-carboxamide
PubChem CID74760091
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Name3-(4-fluorophenyl)-N-phenylmethoxypyrazolidine-4-carboxamide
SMILESO=C(NOCc1ccccc1)C1CNNC1c1ccc(F)cc1
InChIInChI=1S/C17H18FN3O2/c18-14-8-6-13(7-9-14)16-15(10-19-20-16)17(22)21-23-11-12-4-2-1-3-5-12/h1-9,15-16,19-20H,10-11H2,(H,21,22)
InChIKeyILDUDCZOXNIHHQ-UHFFFAOYSA-N
XLogP1.84
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-fluorophenyl)-N'-[2-(2-methylphenoxy)acetyl]pyrazolidine-4-carbohydrazide
CID 52975632
3-(4-fluorophenyl)-N-(3-methylbutyl)pyrazolidine-4-carboxamide
CID 75266820
N-benzyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolidine-4-carboxamide
CID 52975623
N-[4-(difluoromethoxy)phenyl]-3-(4-fluorophenyl)pyrazolidine-4-carboxamide
CID 75209970
4-methyl-N-phenylmethoxycyclohexane-1-carboxamide
CID 79005762
cis-(1S,2R)-2-hydroxy-4,4-dimethyl-N-phenylmethoxycyclopentane-1-carboxamide
CID 101199184
N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(4-fluorophenyl)pyrazolidine-4-carboxamide
CID 52986667
(2R)-5-oxo-N-phenylmethoxypyrrolidine-2-carboxamide
CID 103648882
N-(3-acetamidophenyl)-3-phenylpyrazolidine-4-carboxamide
CID 74648336
3-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]pyrazolidine-4-carboxamide
CID 134056955
3-phenyl-N'-(4-propan-2-yloxybenzoyl)pyrazolidine-4-carbohydrazide
CID 52973596
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-phenylpyrazolidine-4-carboxamide
CID 74621923

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-phenylmethoxypyrazolidine-4-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-phenylmethoxypyrazolidine-4-carboxamide (CID 74760091) is 3-(4-fluorophenyl)-N-phenylmethoxypyrazolidine-4-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-phenylmethoxypyrazolidine-4-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-phenylmethoxypyrazolidine-4-carboxamide is O=C(NOCc1ccccc1)C1CNNC1c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-phenylmethoxypyrazolidine-4-carboxamide?
The InChIKey is ILDUDCZOXNIHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c18-14-8-6-13(7-9-14)16-15(10-19-20-16)17(22)21-23-11-12-4-2-1-3-5-12/h1-9,15-16,19-20H,10-11H2,(H,21,22).
What are the key properties of 3-(4-fluorophenyl)-N-phenylmethoxypyrazolidine-4-carboxamide?
3-(4-fluorophenyl)-N-phenylmethoxypyrazolidine-4-carboxamide has a molecular weight of 315.35 g/mol, XLogP of 1.84, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-phenylmethoxypyrazolidine-4-carboxamide is sourced from PubChem (CID 74760091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).