5-(4-hydroxyphenyl)-N-[(4-methylphenyl)-pyridin-4-ylmethyl]pyrazolidine-3-carboxamide

C23H24N4O2 — CID 134080235

IUPAC5-(4-hydroxyphenyl)-N-[(4-methylphenyl)-pyridin-4-ylmethyl]pyrazolidine-3-carboxamide
SMILESCc1ccc(C(NC(=O)C2CC(c3ccc(O)cc3)NN2)c2ccncc2)cc1
InChIInChI=1S/C23H24N4O2/c1-15-2-4-17(5-3-15)22(18-10-12-24-13-11-18)25-23(29)21-14-20(26-27-21)16-6-8-19(28)9-7-16/h2-13,20-22,26-28H,14H2,1H3,(H,25,29)
InChIKeyHLGOWBBWWXPZJB-UHFFFAOYSA-N
MW388.47 g/mol
LogP2.91
Rot. Bonds5

About 5-(4-hydroxyphenyl)-N-[(4-methylphenyl)-pyridin-4-ylmethyl]pyrazolidine-3-carboxamide

5-(4-hydroxyphenyl)-N-[(4-methylphenyl)-pyridin-4-ylmethyl]pyrazolidine-3-carboxamide (PubChem CID 134080235) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 5-(4-hydroxyphenyl)-N-[(4-methylphenyl)-pyridin-4-ylmethyl]pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-(4-hydroxyphenyl)-N-[(4-methylphenyl)-pyridin-4-ylmethyl]pyrazolidine-3-carboxamide
PubChem CID134080235
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name5-(4-hydroxyphenyl)-N-[(4-methylphenyl)-pyridin-4-ylmethyl]pyrazolidine-3-carboxamide
SMILESCc1ccc(C(NC(=O)C2CC(c3ccc(O)cc3)NN2)c2ccncc2)cc1
InChIInChI=1S/C23H24N4O2/c1-15-2-4-17(5-3-15)22(18-10-12-24-13-11-18)25-23(29)21-14-20(26-27-21)16-6-8-19(28)9-7-16/h2-13,20-22,26-28H,14H2,1H3,(H,25,29)
InChIKeyHLGOWBBWWXPZJB-UHFFFAOYSA-N
XLogP2.91
TPSA86.28 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxyphenyl)-N-[(4-methylphenyl)-pyridin-4-ylmethyl]pyrazolidine-3-carboxamide?
The IUPAC name of 5-(4-hydroxyphenyl)-N-[(4-methylphenyl)-pyridin-4-ylmethyl]pyrazolidine-3-carboxamide (CID 134080235) is 5-(4-hydroxyphenyl)-N-[(4-methylphenyl)-pyridin-4-ylmethyl]pyrazolidine-3-carboxamide.
What is the SMILES notation for 5-(4-hydroxyphenyl)-N-[(4-methylphenyl)-pyridin-4-ylmethyl]pyrazolidine-3-carboxamide?
The canonical SMILES for 5-(4-hydroxyphenyl)-N-[(4-methylphenyl)-pyridin-4-ylmethyl]pyrazolidine-3-carboxamide is Cc1ccc(C(NC(=O)C2CC(c3ccc(O)cc3)NN2)c2ccncc2)cc1.
What is the InChIKey of 5-(4-hydroxyphenyl)-N-[(4-methylphenyl)-pyridin-4-ylmethyl]pyrazolidine-3-carboxamide?
The InChIKey is HLGOWBBWWXPZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-15-2-4-17(5-3-15)22(18-10-12-24-13-11-18)25-23(29)21-14-20(26-27-21)16-6-8-19(28)9-7-16/h2-13,20-22,26-28H,14H2,1H3,(H,25,29).
What are the key properties of 5-(4-hydroxyphenyl)-N-[(4-methylphenyl)-pyridin-4-ylmethyl]pyrazolidine-3-carboxamide?
5-(4-hydroxyphenyl)-N-[(4-methylphenyl)-pyridin-4-ylmethyl]pyrazolidine-3-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 2.91, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxyphenyl)-N-[(4-methylphenyl)-pyridin-4-ylmethyl]pyrazolidine-3-carboxamide is sourced from PubChem (CID 134080235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).