5-(4-bromophenyl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyrazolidine-3-carboxamide

C19H29BrN4O — CID 134046982

IUPAC5-(4-bromophenyl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyrazolidine-3-carboxamide
SMILESCC(C)N1CCC(N(C)C(=O)C2CC(c3ccc(Br)cc3)NN2)CC1
InChIInChI=1S/C19H29BrN4O/c1-13(2)24-10-8-16(9-11-24)23(3)19(25)18-12-17(21-22-18)14-4-6-15(20)7-5-14/h4-7,13,16-18,21-22H,8-12H2,1-3H3
InChIKeyPCXMLYUSKVTHOW-UHFFFAOYSA-N
MW409.37 g/mol
LogP2.69
Rot. Bonds4

About 5-(4-bromophenyl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyrazolidine-3-carboxamide

5-(4-bromophenyl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyrazolidine-3-carboxamide (PubChem CID 134046982) has the molecular formula C19H29BrN4O and a molecular weight of 409.37 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyrazolidine-3-carboxamide
PubChem CID134046982
Molecular FormulaC19H29BrN4O
Molecular Weight409.37 g/mol
Exact Mass408.15
IUPAC Name5-(4-bromophenyl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyrazolidine-3-carboxamide
SMILESCC(C)N1CCC(N(C)C(=O)C2CC(c3ccc(Br)cc3)NN2)CC1
InChIInChI=1S/C19H29BrN4O/c1-13(2)24-10-8-16(9-11-24)23(3)19(25)18-12-17(21-22-18)14-4-6-15(20)7-5-14/h4-7,13,16-18,21-22H,8-12H2,1-3H3
InChIKeyPCXMLYUSKVTHOW-UHFFFAOYSA-N
XLogP2.69
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.37
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyrazolidine-3-carboxamide?
The IUPAC name of 5-(4-bromophenyl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyrazolidine-3-carboxamide (CID 134046982) is 5-(4-bromophenyl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyrazolidine-3-carboxamide.
What is the SMILES notation for 5-(4-bromophenyl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyrazolidine-3-carboxamide?
The canonical SMILES for 5-(4-bromophenyl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyrazolidine-3-carboxamide is CC(C)N1CCC(N(C)C(=O)C2CC(c3ccc(Br)cc3)NN2)CC1.
What is the InChIKey of 5-(4-bromophenyl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyrazolidine-3-carboxamide?
The InChIKey is PCXMLYUSKVTHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29BrN4O/c1-13(2)24-10-8-16(9-11-24)23(3)19(25)18-12-17(21-22-18)14-4-6-15(20)7-5-14/h4-7,13,16-18,21-22H,8-12H2,1-3H3.
What are the key properties of 5-(4-bromophenyl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyrazolidine-3-carboxamide?
5-(4-bromophenyl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyrazolidine-3-carboxamide has a molecular weight of 409.37 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyrazolidine-3-carboxamide is sourced from PubChem (CID 134046982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).