2-(4-bromophenyl)-N-(5-pyridin-4-ylpyrazolidin-3-yl)acetamide

C16H17BrN4O — CID 133269205

IUPAC2-(4-bromophenyl)-N-(5-pyridin-4-ylpyrazolidin-3-yl)acetamide
SMILESO=C(Cc1ccc(Br)cc1)NC1CC(c2ccncc2)NN1
InChIInChI=1S/C16H17BrN4O/c17-13-3-1-11(2-4-13)9-16(22)19-15-10-14(20-21-15)12-5-7-18-8-6-12/h1-8,14-15,20-21H,9-10H2,(H,19,22)
InChIKeySEFOWXQKDCJDJX-UHFFFAOYSA-N
MW361.24 g/mol
LogP2.07
Rot. Bonds4

About 2-(4-bromophenyl)-N-(5-pyridin-4-ylpyrazolidin-3-yl)acetamide

2-(4-bromophenyl)-N-(5-pyridin-4-ylpyrazolidin-3-yl)acetamide (PubChem CID 133269205) has the molecular formula C16H17BrN4O and a molecular weight of 361.24 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(5-pyridin-4-ylpyrazolidin-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(5-pyridin-4-ylpyrazolidin-3-yl)acetamide
PubChem CID133269205
Molecular FormulaC16H17BrN4O
Molecular Weight361.24 g/mol
Exact Mass360.06
IUPAC Name2-(4-bromophenyl)-N-(5-pyridin-4-ylpyrazolidin-3-yl)acetamide
SMILESO=C(Cc1ccc(Br)cc1)NC1CC(c2ccncc2)NN1
InChIInChI=1S/C16H17BrN4O/c17-13-3-1-11(2-4-13)9-16(22)19-15-10-14(20-21-15)12-5-7-18-8-6-12/h1-8,14-15,20-21H,9-10H2,(H,19,22)
InChIKeySEFOWXQKDCJDJX-UHFFFAOYSA-N
XLogP2.07
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.24
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-(5-pyridin-4-ylpyrazolidin-3-yl)acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-(5-pyridin-4-ylpyrazolidin-3-yl)acetamide (CID 133269205) is 2-(4-bromophenyl)-N-(5-pyridin-4-ylpyrazolidin-3-yl)acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-(5-pyridin-4-ylpyrazolidin-3-yl)acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-(5-pyridin-4-ylpyrazolidin-3-yl)acetamide is O=C(Cc1ccc(Br)cc1)NC1CC(c2ccncc2)NN1.
What is the InChIKey of 2-(4-bromophenyl)-N-(5-pyridin-4-ylpyrazolidin-3-yl)acetamide?
The InChIKey is SEFOWXQKDCJDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN4O/c17-13-3-1-11(2-4-13)9-16(22)19-15-10-14(20-21-15)12-5-7-18-8-6-12/h1-8,14-15,20-21H,9-10H2,(H,19,22).
What are the key properties of 2-(4-bromophenyl)-N-(5-pyridin-4-ylpyrazolidin-3-yl)acetamide?
2-(4-bromophenyl)-N-(5-pyridin-4-ylpyrazolidin-3-yl)acetamide has a molecular weight of 361.24 g/mol, XLogP of 2.07, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-(5-pyridin-4-ylpyrazolidin-3-yl)acetamide is sourced from PubChem (CID 133269205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).