5-(4-bromophenyl)-N-(1-methoxypropan-2-yl)pyrazolidine-3-carboxamide

C14H20BrN3O2 — CID 75666383

IUPAC5-(4-bromophenyl)-N-(1-methoxypropan-2-yl)pyrazolidine-3-carboxamide
SMILESCOCC(C)NC(=O)C1CC(c2ccc(Br)cc2)NN1
InChIInChI=1S/C14H20BrN3O2/c1-9(8-20-2)16-14(19)13-7-12(17-18-13)10-3-5-11(15)6-4-10/h3-6,9,12-13,17-18H,7-8H2,1-2H3,(H,16,19)
InChIKeyJNFPOUXRYSDFQZ-UHFFFAOYSA-N
MW342.24 g/mol
LogP1.51
Rot. Bonds5

About 5-(4-bromophenyl)-N-(1-methoxypropan-2-yl)pyrazolidine-3-carboxamide

5-(4-bromophenyl)-N-(1-methoxypropan-2-yl)pyrazolidine-3-carboxamide (PubChem CID 75666383) has the molecular formula C14H20BrN3O2 and a molecular weight of 342.24 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-(1-methoxypropan-2-yl)pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-(1-methoxypropan-2-yl)pyrazolidine-3-carboxamide
PubChem CID75666383
Molecular FormulaC14H20BrN3O2
Molecular Weight342.24 g/mol
Exact Mass341.07
IUPAC Name5-(4-bromophenyl)-N-(1-methoxypropan-2-yl)pyrazolidine-3-carboxamide
SMILESCOCC(C)NC(=O)C1CC(c2ccc(Br)cc2)NN1
InChIInChI=1S/C14H20BrN3O2/c1-9(8-20-2)16-14(19)13-7-12(17-18-13)10-3-5-11(15)6-4-10/h3-6,9,12-13,17-18H,7-8H2,1-2H3,(H,16,19)
InChIKeyJNFPOUXRYSDFQZ-UHFFFAOYSA-N
XLogP1.51
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-(4-bromophenyl)-N-(1-methoxypropan-2-yl)pyrazolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-methoxypropan-2-yl)-5-phenylpyrazolidine-3-carboxamide
CID 73421866
5-(2-chlorophenyl)-N-(1-methoxypropan-2-yl)pyrazolidine-3-carboxamide
CID 52978508
N-[1-(4-bromophenyl)propan-2-yl]-5-cyclopropylpyrazolidine-3-carboxamide
CID 75262929
5-(4-bromophenyl)-N-(2-propan-2-ylpyrazol-3-yl)pyrazolidine-3-carboxamide
CID 134041468
N-propan-2-yl-5-pyridin-4-ylpyrazolidine-3-carboxamide
CID 75973429
5-[4-(2-methylpropoxy)phenyl]pyrazolidine-3-carbohydrazide
CID 78211548
N-[(4-bromophenyl)methyl]-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide
CID 75234443
5-(4-bromophenyl)-N-[(3,5-difluorophenyl)methyl]pyrazolidine-3-carboxamide
CID 75283635
methyl (3S)-3-[[(1S,2R)-2-(4-bromophenyl)cyclopropanecarbonyl]amino]butanoate
CID 124819236
methyl (3S)-3-[[(1R,2R)-2-(4-bromophenyl)cyclopropanecarbonyl]amino]butanoate
CID 124819235
5-(4-bromophenyl)-N-(4-phenoxyphenyl)pyrazolidine-3-carboxamide
CID 75085719
N-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24693482

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N-(1-methoxypropan-2-yl)pyrazolidine-3-carboxamide?
The IUPAC name of 5-(4-bromophenyl)-N-(1-methoxypropan-2-yl)pyrazolidine-3-carboxamide (CID 75666383) is 5-(4-bromophenyl)-N-(1-methoxypropan-2-yl)pyrazolidine-3-carboxamide.
What is the SMILES notation for 5-(4-bromophenyl)-N-(1-methoxypropan-2-yl)pyrazolidine-3-carboxamide?
The canonical SMILES for 5-(4-bromophenyl)-N-(1-methoxypropan-2-yl)pyrazolidine-3-carboxamide is COCC(C)NC(=O)C1CC(c2ccc(Br)cc2)NN1.
What is the InChIKey of 5-(4-bromophenyl)-N-(1-methoxypropan-2-yl)pyrazolidine-3-carboxamide?
The InChIKey is JNFPOUXRYSDFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O2/c1-9(8-20-2)16-14(19)13-7-12(17-18-13)10-3-5-11(15)6-4-10/h3-6,9,12-13,17-18H,7-8H2,1-2H3,(H,16,19).
What are the key properties of 5-(4-bromophenyl)-N-(1-methoxypropan-2-yl)pyrazolidine-3-carboxamide?
5-(4-bromophenyl)-N-(1-methoxypropan-2-yl)pyrazolidine-3-carboxamide has a molecular weight of 342.24 g/mol, XLogP of 1.51, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-N-(1-methoxypropan-2-yl)pyrazolidine-3-carboxamide is sourced from PubChem (CID 75666383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).