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

C19H21ClFN3O2 — CID 75255208

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide
SMILESCCOc1ccc(C2CC(C(=O)NCc3ccc(F)cc3Cl)NN2)cc1
InChIInChI=1S/C19H21ClFN3O2/c1-2-26-15-7-4-12(5-8-15)17-10-18(24-23-17)19(25)22-11-13-3-6-14(21)9-16(13)20/h3-9,17-18,23-24H,2,10-11H2,1H3,(H,22,25)
InChIKeyFLEIJJSJIUYKAB-UHFFFAOYSA-N
MW377.85 g/mol
LogP3.10
Rot. Bonds6

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

N-[(2-chloro-4-fluorophenyl)methyl]-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide (PubChem CID 75255208) has the molecular formula C19H21ClFN3O2 and a molecular weight of 377.85 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide
PubChem CID75255208
Molecular FormulaC19H21ClFN3O2
Molecular Weight377.85 g/mol
Exact Mass377.13
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide
SMILESCCOc1ccc(C2CC(C(=O)NCc3ccc(F)cc3Cl)NN2)cc1
InChIInChI=1S/C19H21ClFN3O2/c1-2-26-15-7-4-12(5-8-15)17-10-18(24-23-17)19(25)22-11-13-3-6-14(21)9-16(13)20/h3-9,17-18,23-24H,2,10-11H2,1H3,(H,22,25)
InChIKeyFLEIJJSJIUYKAB-UHFFFAOYSA-N
XLogP3.10
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.85
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chloro-4-fluorophenyl)methyl]-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide
CID 75283653
N-[(2-chlorophenyl)methyl]-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide
CID 75234440
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-[(4-bromophenyl)methyl]-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide
CID 75234443
N-(3,4-difluorophenyl)-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide
CID 75254832
5-(2-chlorophenyl)-N-[(4-ethoxyphenyl)methyl]pyrazolidine-3-carboxamide
CID 75255164
N-(2,3-dichlorophenyl)-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide
CID 75254833
5-(4-ethoxyphenyl)-N-(2,4,6-trimethylphenyl)pyrazolidine-3-carboxamide
CID 75234244
5-(4-ethoxyphenyl)-N-[3-(trifluoromethoxy)phenyl]pyrazolidine-3-carboxamide
CID 75234301
5-(4-ethoxyphenyl)-N-(2-methoxyphenyl)pyrazolidine-3-carboxamide
CID 75234255
5-(4-chlorophenyl)-N-[(4-ethylphenyl)methyl]pyrazolidine-3-carboxamide
CID 75085820

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide (CID 75255208) is N-[(2-chloro-4-fluorophenyl)methyl]-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide is CCOc1ccc(C2CC(C(=O)NCc3ccc(F)cc3Cl)NN2)cc1.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide?
The InChIKey is FLEIJJSJIUYKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN3O2/c1-2-26-15-7-4-12(5-8-15)17-10-18(24-23-17)19(25)22-11-13-3-6-14(21)9-16(13)20/h3-9,17-18,23-24H,2,10-11H2,1H3,(H,22,25).
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide?
N-[(2-chloro-4-fluorophenyl)methyl]-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide has a molecular weight of 377.85 g/mol, XLogP of 3.10, 6 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-ethoxyphenyl)pyrazolidine-3-carboxamide is sourced from PubChem (CID 75255208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).