N-[(2-chloro-4-fluorophenyl)methyl]-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide

C18H19ClFN3O2 — CID 75283653

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide
SMILESCOc1ccc(C2CC(C(=O)NCc3ccc(F)cc3Cl)NN2)cc1
InChIInChI=1S/C18H19ClFN3O2/c1-25-14-6-3-11(4-7-14)16-9-17(23-22-16)18(24)21-10-12-2-5-13(20)8-15(12)19/h2-8,16-17,22-23H,9-10H2,1H3,(H,21,24)
InChIKeyVMOQOFOOQIYPIF-UHFFFAOYSA-N
MW363.82 g/mol
LogP2.71
Rot. Bonds5

About N-[(2-chloro-4-fluorophenyl)methyl]-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide

N-[(2-chloro-4-fluorophenyl)methyl]-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide (PubChem CID 75283653) has the molecular formula C18H19ClFN3O2 and a molecular weight of 363.82 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide
PubChem CID75283653
Molecular FormulaC18H19ClFN3O2
Molecular Weight363.82 g/mol
Exact Mass363.11
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide
SMILESCOc1ccc(C2CC(C(=O)NCc3ccc(F)cc3Cl)NN2)cc1
InChIInChI=1S/C18H19ClFN3O2/c1-25-14-6-3-11(4-7-14)16-9-17(23-22-16)18(24)21-10-12-2-5-13(20)8-15(12)19/h2-8,16-17,22-23H,9-10H2,1H3,(H,21,24)
InChIKeyVMOQOFOOQIYPIF-UHFFFAOYSA-N
XLogP2.71
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.82
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chloro-4-fluorophenyl)methyl]-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide
CID 75255208
N-[(2-chloro-4-fluorophenyl)methyl]-5-(3-methoxyphenyl)pyrazolidine-3-carboxamide
CID 75255262
N-[(2,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)pyrazolidine-3-carboxamide
CID 75194169
N-[(2-chlorophenyl)methyl]-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide
CID 75234440
N-[(3,4-dimethoxyphenyl)methyl]-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide
CID 75234457
N-[(2,4-difluorophenyl)methyl]-5-naphthalen-1-ylpyrazolidine-3-carboxamide
CID 75605915
N-[(2-chloro-4-methoxyphenyl)methyl]azetidine-3-carboxamide
CID 115158872
N-[(2-chloro-4-methoxyphenyl)methyl]-4-fluorobenzamide
CID 110783290
N-[(2-chlorophenyl)methyl]-5-(4-methoxy-3-sulfamoylphenyl)pyrazolidine-3-carboxamide
CID 75543395
5-(4-chlorophenyl)-N-[(4-ethylphenyl)methyl]pyrazolidine-3-carboxamide
CID 75085820
trans-(1R,2R)-N-[(2,5-difluorophenyl)methyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 136583904
5-(4-fluorophenyl)-N-(6-methoxyquinolin-8-yl)pyrazolidine-3-carboxamide
CID 75355090

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide (CID 75283653) is N-[(2-chloro-4-fluorophenyl)methyl]-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide is COc1ccc(C2CC(C(=O)NCc3ccc(F)cc3Cl)NN2)cc1.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide?
The InChIKey is VMOQOFOOQIYPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN3O2/c1-25-14-6-3-11(4-7-14)16-9-17(23-22-16)18(24)21-10-12-2-5-13(20)8-15(12)19/h2-8,16-17,22-23H,9-10H2,1H3,(H,21,24).
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide?
N-[(2-chloro-4-fluorophenyl)methyl]-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide has a molecular weight of 363.82 g/mol, XLogP of 2.71, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorophenyl)methyl]-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide is sourced from PubChem (CID 75283653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).