5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-(4-methoxyphenyl)pyrazolidine-3-carboxamide

C19H22ClN3O4 — CID 76850579

IUPAC5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-(4-methoxyphenyl)pyrazolidine-3-carboxamide
SMILESCCNC(=O)C1NNC(c2cc(Cl)c(O)cc2O)C1c1ccc(OC)cc1
InChIInChI=1S/C19H22ClN3O4/c1-3-21-19(26)18-16(10-4-6-11(27-2)7-5-10)17(22-23-18)12-8-13(20)15(25)9-14(12)24/h4-9,16-18,22-25H,3H2,1-2H3,(H,21,26)
InChIKeyOIINHMXNUSGBIP-UHFFFAOYSA-N
MW391.86 g/mol
LogP2.20
Rot. Bonds5

About 5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-(4-methoxyphenyl)pyrazolidine-3-carboxamide

5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-(4-methoxyphenyl)pyrazolidine-3-carboxamide (PubChem CID 76850579) has the molecular formula C19H22ClN3O4 and a molecular weight of 391.86 g/mol. Its IUPAC name is 5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-(4-methoxyphenyl)pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-(4-methoxyphenyl)pyrazolidine-3-carboxamide
PubChem CID76850579
Molecular FormulaC19H22ClN3O4
Molecular Weight391.86 g/mol
Exact Mass391.13
IUPAC Name5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-(4-methoxyphenyl)pyrazolidine-3-carboxamide
SMILESCCNC(=O)C1NNC(c2cc(Cl)c(O)cc2O)C1c1ccc(OC)cc1
InChIInChI=1S/C19H22ClN3O4/c1-3-21-19(26)18-16(10-4-6-11(27-2)7-5-10)17(22-23-18)12-8-13(20)15(25)9-14(12)24/h4-9,16-18,22-25H,3H2,1-2H3,(H,21,26)
InChIKeyOIINHMXNUSGBIP-UHFFFAOYSA-N
XLogP2.20
TPSA102.85 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.86
LogP ≤ 52.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazolidin-3-yl]phenol
CID 156590486
N-[(2,4-dimethoxyphenyl)methyl]-5-ethyl-4-methylpyrazolidine-3-carboxamide
CID 134128095
5-ethoxy-2-[4-(4-methoxyphenoxy)-5-methylpyrazolidin-3-yl]phenol
CID 164664263
N-[(2-chloro-4-methoxyphenyl)methyl]azetidine-3-carboxamide
CID 115158872
1-butyl-N-ethyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51180359
1-(3-chloro-4-hydroxyphenyl)-3-(4-methoxyphenyl)urea
CID 64788507
N-[(2-chloro-4-fluorophenyl)methyl]-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide
CID 75283653
5,7-dichloro-3,4-bis(4-methoxyphenyl)-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 22745097
(3S)-N-ethyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 673036
2-(4-chlorophenyl)-3-(2,5-dimethylfuran-3-carbonyl)-N-ethyl-4-(4-methoxyphenyl)-5-(piperazine-1-carbonyl)pyrrolidine-1-carboxamide
CID 23791427
2-(ethylaminomethyl)-5-methoxyphenol
CID 39257600
(1S,2S,3S)-2-ethylsulfonyl-3-(4-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 124858498

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-(4-methoxyphenyl)pyrazolidine-3-carboxamide?
The IUPAC name of 5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-(4-methoxyphenyl)pyrazolidine-3-carboxamide (CID 76850579) is 5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-(4-methoxyphenyl)pyrazolidine-3-carboxamide.
What is the SMILES notation for 5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-(4-methoxyphenyl)pyrazolidine-3-carboxamide?
The canonical SMILES for 5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-(4-methoxyphenyl)pyrazolidine-3-carboxamide is CCNC(=O)C1NNC(c2cc(Cl)c(O)cc2O)C1c1ccc(OC)cc1.
What is the InChIKey of 5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-(4-methoxyphenyl)pyrazolidine-3-carboxamide?
The InChIKey is OIINHMXNUSGBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O4/c1-3-21-19(26)18-16(10-4-6-11(27-2)7-5-10)17(22-23-18)12-8-13(20)15(25)9-14(12)24/h4-9,16-18,22-25H,3H2,1-2H3,(H,21,26).
What are the key properties of 5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-(4-methoxyphenyl)pyrazolidine-3-carboxamide?
5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-(4-methoxyphenyl)pyrazolidine-3-carboxamide has a molecular weight of 391.86 g/mol, XLogP of 2.20, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-(4-methoxyphenyl)pyrazolidine-3-carboxamide is sourced from PubChem (CID 76850579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).