5-(4-bromophenyl)-N-methyl-N-(3-methylphenyl)pyrazolidine-3-carboxamide

C18H20BrN3O — CID 75606273

IUPAC5-(4-bromophenyl)-N-methyl-N-(3-methylphenyl)pyrazolidine-3-carboxamide
SMILESCc1cccc(N(C)C(=O)C2CC(c3ccc(Br)cc3)NN2)c1
InChIInChI=1S/C18H20BrN3O/c1-12-4-3-5-15(10-12)22(2)18(23)17-11-16(20-21-17)13-6-8-14(19)9-7-13/h3-10,16-17,20-21H,11H2,1-2H3
InChIKeyCNDMPEADZVRPKG-UHFFFAOYSA-N
MW374.28 g/mol
LogP3.33
Rot. Bonds3

About 5-(4-bromophenyl)-N-methyl-N-(3-methylphenyl)pyrazolidine-3-carboxamide

5-(4-bromophenyl)-N-methyl-N-(3-methylphenyl)pyrazolidine-3-carboxamide (PubChem CID 75606273) has the molecular formula C18H20BrN3O and a molecular weight of 374.28 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-methyl-N-(3-methylphenyl)pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-methyl-N-(3-methylphenyl)pyrazolidine-3-carboxamide
PubChem CID75606273
Molecular FormulaC18H20BrN3O
Molecular Weight374.28 g/mol
Exact Mass373.08
IUPAC Name5-(4-bromophenyl)-N-methyl-N-(3-methylphenyl)pyrazolidine-3-carboxamide
SMILESCc1cccc(N(C)C(=O)C2CC(c3ccc(Br)cc3)NN2)c1
InChIInChI=1S/C18H20BrN3O/c1-12-4-3-5-15(10-12)22(2)18(23)17-11-16(20-21-17)13-6-8-14(19)9-7-13/h3-10,16-17,20-21H,11H2,1-2H3
InChIKeyCNDMPEADZVRPKG-UHFFFAOYSA-N
XLogP3.33
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.28
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-bromophenyl)-N-methyl-N-(4-methylphenyl)pyrazolidine-3-carboxamide
CID 75085732
N-methyl-N-(3-methylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119280852
N-methyl-N-(3-methylphenyl)thiomorpholine-3-carboxamide
CID 82908415
5-(4-bromophenyl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyrazolidine-3-carboxamide
CID 134046982
2,4-dibromo-N-methyl-N-(3-methylphenyl)benzamide
CID 107952311
N-methyl-N-(3-methylphenyl)-5-(trifluoromethyl)piperidine-2-carboxamide
CID 114908798
5-(3-bromophenyl)pyrazolidine-3-carboxylic acid
CID 53404881
methyl 5-(4-methylphenyl)pyrazolidine-3-carboxylate
CID 71651121
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 5-(4-bromophenyl)pyrazolidine-3-carboxylate
CID 52973025
(2S,5S)-2-(4-bromophenyl)-5-(3-methylphenyl)pyrrolidine
CID 162419383
N-methyl-N-(3-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119707893
N-benzyl-N-methyl-5-phenylpyrazolidine-3-carboxamide
CID 78419071

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N-methyl-N-(3-methylphenyl)pyrazolidine-3-carboxamide?
The IUPAC name of 5-(4-bromophenyl)-N-methyl-N-(3-methylphenyl)pyrazolidine-3-carboxamide (CID 75606273) is 5-(4-bromophenyl)-N-methyl-N-(3-methylphenyl)pyrazolidine-3-carboxamide.
What is the SMILES notation for 5-(4-bromophenyl)-N-methyl-N-(3-methylphenyl)pyrazolidine-3-carboxamide?
The canonical SMILES for 5-(4-bromophenyl)-N-methyl-N-(3-methylphenyl)pyrazolidine-3-carboxamide is Cc1cccc(N(C)C(=O)C2CC(c3ccc(Br)cc3)NN2)c1.
What is the InChIKey of 5-(4-bromophenyl)-N-methyl-N-(3-methylphenyl)pyrazolidine-3-carboxamide?
The InChIKey is CNDMPEADZVRPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O/c1-12-4-3-5-15(10-12)22(2)18(23)17-11-16(20-21-17)13-6-8-14(19)9-7-13/h3-10,16-17,20-21H,11H2,1-2H3.
What are the key properties of 5-(4-bromophenyl)-N-methyl-N-(3-methylphenyl)pyrazolidine-3-carboxamide?
5-(4-bromophenyl)-N-methyl-N-(3-methylphenyl)pyrazolidine-3-carboxamide has a molecular weight of 374.28 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-N-methyl-N-(3-methylphenyl)pyrazolidine-3-carboxamide is sourced from PubChem (CID 75606273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).