5-(3-methoxyphenyl)-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazolidine-3-carboxamide

C21H26N4O3 — CID 118704712

IUPAC5-(3-methoxyphenyl)-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazolidine-3-carboxamide
SMILESCOc1cccc(C2CC(C(=O)Nc3ccc([C@@H]4CNCCO4)cc3)NN2)c1
InChIInChI=1S/C21H26N4O3/c1-27-17-4-2-3-15(11-17)18-12-19(25-24-18)21(26)23-16-7-5-14(6-8-16)20-13-22-9-10-28-20/h2-8,11,18-20,22,24-25H,9-10,12-13H2,1H3,(H,23,26)/t18?,19?,20-/m0/s1
InChIKeyXLMDPSFIPNVFGF-MHJFOBGBSA-N
MW382.46 g/mol
LogP1.90
Rot. Bonds5

About 5-(3-methoxyphenyl)-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazolidine-3-carboxamide

5-(3-methoxyphenyl)-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazolidine-3-carboxamide (PubChem CID 118704712) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazolidine-3-carboxamide
PubChem CID118704712
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name5-(3-methoxyphenyl)-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazolidine-3-carboxamide
SMILESCOc1cccc(C2CC(C(=O)Nc3ccc([C@@H]4CNCCO4)cc3)NN2)c1
InChIInChI=1S/C21H26N4O3/c1-27-17-4-2-3-15(11-17)18-12-19(25-24-18)21(26)23-16-7-5-14(6-8-16)20-13-22-9-10-28-20/h2-8,11,18-20,22,24-25H,9-10,12-13H2,1H3,(H,23,26)/t18?,19?,20-/m0/s1
InChIKeyXLMDPSFIPNVFGF-MHJFOBGBSA-N
XLogP1.90
TPSA83.65 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 51.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazolidine-3-carboxamide
CID 118704700
5-(3-cyano-4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazolidine-3-carboxamide
CID 118704720
5-(3-methoxyphenyl)pyrazolidine-3-carbohydrazide
CID 78349199
N-(2-fluorophenyl)-5-(3-methoxyphenyl)pyrazolidine-3-carboxamide
CID 75234366
4-methoxy-N-(4-morpholin-2-ylphenyl)benzamide;hydrochloride
CID 67239468
2-[3-(3-methoxyphenyl)phenyl]morpholine
CID 82092915
N-(3-acetylphenyl)-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide
CID 75234345
4-methoxy-N-(4-morpholin-2-ylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 67238948
N-(4-methoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide
CID 75975398
tert-butyl N-(4-morpholin-2-ylphenyl)carbamate
CID 117446363
N-[4-(diethylamino)-2-methylphenyl]-5-(3-methoxyphenyl)pyrazolidine-3-carboxamide
CID 75254957
5-(4-bromophenyl)-N-(4-phenoxyphenyl)pyrazolidine-3-carboxamide
CID 75085719

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazolidine-3-carboxamide?
The IUPAC name of 5-(3-methoxyphenyl)-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazolidine-3-carboxamide (CID 118704712) is 5-(3-methoxyphenyl)-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazolidine-3-carboxamide.
What is the SMILES notation for 5-(3-methoxyphenyl)-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazolidine-3-carboxamide?
The canonical SMILES for 5-(3-methoxyphenyl)-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazolidine-3-carboxamide is COc1cccc(C2CC(C(=O)Nc3ccc([C@@H]4CNCCO4)cc3)NN2)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazolidine-3-carboxamide?
The InChIKey is XLMDPSFIPNVFGF-MHJFOBGBSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-27-17-4-2-3-15(11-17)18-12-19(25-24-18)21(26)23-16-7-5-14(6-8-16)20-13-22-9-10-28-20/h2-8,11,18-20,22,24-25H,9-10,12-13H2,1H3,(H,23,26)/t18?,19?,20-/m0/s1.
What are the key properties of 5-(3-methoxyphenyl)-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazolidine-3-carboxamide?
5-(3-methoxyphenyl)-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazolidine-3-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 1.90, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazolidine-3-carboxamide is sourced from PubChem (CID 118704712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).