5-(4-fluorophenyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrazolidine-3-carboxamide

C19H23FN4O2 — CID 52986475

IUPAC5-(4-fluorophenyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrazolidine-3-carboxamide
SMILESCC(C)Oc1ncccc1CNC(=O)C1CC(c2ccc(F)cc2)NN1
InChIInChI=1S/C19H23FN4O2/c1-12(2)26-19-14(4-3-9-21-19)11-22-18(25)17-10-16(23-24-17)13-5-7-15(20)8-6-13/h3-9,12,16-17,23-24H,10-11H2,1-2H3,(H,22,25)
InChIKeyIMCLHYNEJOBXQN-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.23
Rot. Bonds6

About 5-(4-fluorophenyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrazolidine-3-carboxamide

5-(4-fluorophenyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrazolidine-3-carboxamide (PubChem CID 52986475) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrazolidine-3-carboxamide
PubChem CID52986475
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC Name5-(4-fluorophenyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrazolidine-3-carboxamide
SMILESCC(C)Oc1ncccc1CNC(=O)C1CC(c2ccc(F)cc2)NN1
InChIInChI=1S/C19H23FN4O2/c1-12(2)26-19-14(4-3-9-21-19)11-22-18(25)17-10-16(23-24-17)13-5-7-15(20)8-6-13/h3-9,12,16-17,23-24H,10-11H2,1-2H3,(H,22,25)
InChIKeyIMCLHYNEJOBXQN-UHFFFAOYSA-N
XLogP2.23
TPSA75.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrazolidine-3-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrazolidine-3-carboxamide (CID 52986475) is 5-(4-fluorophenyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrazolidine-3-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrazolidine-3-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrazolidine-3-carboxamide is CC(C)Oc1ncccc1CNC(=O)C1CC(c2ccc(F)cc2)NN1.
What is the InChIKey of 5-(4-fluorophenyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrazolidine-3-carboxamide?
The InChIKey is IMCLHYNEJOBXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2/c1-12(2)26-19-14(4-3-9-21-19)11-22-18(25)17-10-16(23-24-17)13-5-7-15(20)8-6-13/h3-9,12,16-17,23-24H,10-11H2,1-2H3,(H,22,25).
What are the key properties of 5-(4-fluorophenyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrazolidine-3-carboxamide?
5-(4-fluorophenyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrazolidine-3-carboxamide has a molecular weight of 358.42 g/mol, XLogP of 2.23, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrazolidine-3-carboxamide is sourced from PubChem (CID 52986475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).