N-[(2,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)pyrazolidine-3-carboxamide

C19H22FN3O3 — CID 75194169

IUPACN-[(2,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)pyrazolidine-3-carboxamide
SMILESCOc1ccc(CNC(=O)C2CC(c3ccc(F)cc3)NN2)c(OC)c1
InChIInChI=1S/C19H22FN3O3/c1-25-15-8-5-13(18(9-15)26-2)11-21-19(24)17-10-16(22-23-17)12-3-6-14(20)7-4-12/h3-9,16-17,22-23H,10-11H2,1-2H3,(H,21,24)
InChIKeyHDDBAHWGIDMQJV-UHFFFAOYSA-N
MW359.40 g/mol
LogP2.07
Rot. Bonds6

About N-[(2,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)pyrazolidine-3-carboxamide

N-[(2,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)pyrazolidine-3-carboxamide (PubChem CID 75194169) has the molecular formula C19H22FN3O3 and a molecular weight of 359.40 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)pyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)pyrazolidine-3-carboxamide
PubChem CID75194169
Molecular FormulaC19H22FN3O3
Molecular Weight359.40 g/mol
Exact Mass359.16
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)pyrazolidine-3-carboxamide
SMILESCOc1ccc(CNC(=O)C2CC(c3ccc(F)cc3)NN2)c(OC)c1
InChIInChI=1S/C19H22FN3O3/c1-25-15-8-5-13(18(9-15)26-2)11-21-19(24)17-10-16(22-23-17)12-3-6-14(20)7-4-12/h3-9,16-17,22-23H,10-11H2,1-2H3,(H,21,24)
InChIKeyHDDBAHWGIDMQJV-UHFFFAOYSA-N
XLogP2.07
TPSA71.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-chloro-4-fluorophenyl)methyl]-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide
CID 75283653
N-[(2-chloro-4-fluorophenyl)methyl]-5-(3-methoxyphenyl)pyrazolidine-3-carboxamide
CID 75255262
N-[(3,4-dimethoxyphenyl)methyl]-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide
CID 75234457
N-[(2-chloro-4-fluorophenyl)methyl]-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide
CID 75255208
N-benzyl-5-(2,4-dimethoxyphenyl)pyrazolidine-3-carboxamide
CID 75283665
N-[(2,4-dimethoxyphenyl)methyl]cyclopropanecarboxamide
CID 47161024
N-[(2,4-dimethoxyphenyl)methyl]-5-methylpiperazine-2-carboxamide
CID 63363227
N-[(2,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119279585
N-[(2,4-dimethoxyphenyl)methyl]thiomorpholine-3-carboxamide
CID 82916253
N-(2,5-difluorophenyl)-5-(2,4-dimethoxyphenyl)pyrazolidine-3-carboxamide
CID 75255014
N-[(2,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119279598
2-(2,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide
CID 27256771

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)pyrazolidine-3-carboxamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)pyrazolidine-3-carboxamide (CID 75194169) is N-[(2,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)pyrazolidine-3-carboxamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)pyrazolidine-3-carboxamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)pyrazolidine-3-carboxamide is COc1ccc(CNC(=O)C2CC(c3ccc(F)cc3)NN2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)pyrazolidine-3-carboxamide?
The InChIKey is HDDBAHWGIDMQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3/c1-25-15-8-5-13(18(9-15)26-2)11-21-19(24)17-10-16(22-23-17)12-3-6-14(20)7-4-12/h3-9,16-17,22-23H,10-11H2,1-2H3,(H,21,24).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)pyrazolidine-3-carboxamide?
N-[(2,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)pyrazolidine-3-carboxamide has a molecular weight of 359.40 g/mol, XLogP of 2.07, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)pyrazolidine-3-carboxamide is sourced from PubChem (CID 75194169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).