3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-N-methylpyrazolidine-4-carboxamide

C18H19F2N3O — CID 134057217

IUPAC3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-N-methylpyrazolidine-4-carboxamide
SMILESCN(Cc1ccc(F)cc1)C(=O)C1CNNC1c1ccc(F)cc1
InChIInChI=1S/C18H19F2N3O/c1-23(11-12-2-6-14(19)7-3-12)18(24)16-10-21-22-17(16)13-4-8-15(20)9-5-13/h2-9,16-17,21-22H,10-11H2,1H3
InChIKeyFQIPTEKLTBESNS-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.39
Rot. Bonds4

About 3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-N-methylpyrazolidine-4-carboxamide

3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-N-methylpyrazolidine-4-carboxamide (PubChem CID 134057217) has the molecular formula C18H19F2N3O and a molecular weight of 331.37 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-N-methylpyrazolidine-4-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-N-methylpyrazolidine-4-carboxamide
PubChem CID134057217
Molecular FormulaC18H19F2N3O
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-N-methylpyrazolidine-4-carboxamide
SMILESCN(Cc1ccc(F)cc1)C(=O)C1CNNC1c1ccc(F)cc1
InChIInChI=1S/C18H19F2N3O/c1-23(11-12-2-6-14(19)7-3-12)18(24)16-10-21-22-17(16)13-4-8-15(20)9-5-13/h2-9,16-17,21-22H,10-11H2,1H3
InChIKeyFQIPTEKLTBESNS-UHFFFAOYSA-N
XLogP2.39
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-N-methyl-3-phenylpyrazolidine-4-carboxamide
CID 134057083
N-(1,3-benzodioxol-5-ylmethyl)-3-(4-chlorophenyl)-N-methylpyrazolidine-4-carboxamide
CID 52990222
3-(4-fluorophenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]pyrazolidine-4-carboxamide
CID 75625270
3-(4-chlorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolidine-4-carboxamide
CID 134037133
N-methyl-3-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrazolidine-4-carboxamide
CID 52990156
trans-(1S,2S)-2-(4-fluorophenyl)-N-methyl-N-[(4-phenylphenyl)methyl]cyclopropane-1-carboxamide
CID 97061376
4-[[[2-(4-fluorophenyl)cyclopropanecarbonyl]-methylamino]methyl]-N-methylbenzamide
CID 51292326
N-[(4-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 43579181
N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(4-fluorophenyl)pyrazolidine-4-carboxamide
CID 52986667
N-[(4-fluorophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide
CID 112728353
3-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]pyrazolidine-4-carboxamide
CID 73277683
3-(4-fluorophenyl)-N-phenylmethoxypyrazolidine-4-carboxamide
CID 74760091

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-N-methylpyrazolidine-4-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-N-methylpyrazolidine-4-carboxamide (CID 134057217) is 3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-N-methylpyrazolidine-4-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-N-methylpyrazolidine-4-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-N-methylpyrazolidine-4-carboxamide is CN(Cc1ccc(F)cc1)C(=O)C1CNNC1c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-N-methylpyrazolidine-4-carboxamide?
The InChIKey is FQIPTEKLTBESNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O/c1-23(11-12-2-6-14(19)7-3-12)18(24)16-10-21-22-17(16)13-4-8-15(20)9-5-13/h2-9,16-17,21-22H,10-11H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-N-methylpyrazolidine-4-carboxamide?
3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-N-methylpyrazolidine-4-carboxamide has a molecular weight of 331.37 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-N-methylpyrazolidine-4-carboxamide is sourced from PubChem (CID 134057217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).