4-fluoro-N-[N'-[(3-methylcyclopentyl)methyl]-N-[5-(trifluoromethyl)pyrazolidin-3-yl]carbamimidoyl]benzamide

C19H25F4N5O — CID 130434788

IUPAC4-fluoro-N-[N'-[(3-methylcyclopentyl)methyl]-N-[5-(trifluoromethyl)pyrazolidin-3-yl]carbamimidoyl]benzamide
SMILESCC1CCC(C/N=C(\NC(=O)c2ccc(F)cc2)NC2CC(C(F)(F)F)NN2)C1
InChIInChI=1S/C19H25F4N5O/c1-11-2-3-12(8-11)10-24-18(25-16-9-15(27-28-16)19(21,22)23)26-17(29)13-4-6-14(20)7-5-13/h4-7,11-12,15-16,27-28H,2-3,8-10H2,1H3,(H2,24,25,26,29)
InChIKeyJDDGVMCJZXRYRM-UHFFFAOYSA-N
MW415.44 g/mol
LogP2.69
Rot. Bonds4

About 4-fluoro-N-[N'-[(3-methylcyclopentyl)methyl]-N-[5-(trifluoromethyl)pyrazolidin-3-yl]carbamimidoyl]benzamide

4-fluoro-N-[N'-[(3-methylcyclopentyl)methyl]-N-[5-(trifluoromethyl)pyrazolidin-3-yl]carbamimidoyl]benzamide (PubChem CID 130434788) has the molecular formula C19H25F4N5O and a molecular weight of 415.44 g/mol. Its IUPAC name is 4-fluoro-N-[N'-[(3-methylcyclopentyl)methyl]-N-[5-(trifluoromethyl)pyrazolidin-3-yl]carbamimidoyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[N'-[(3-methylcyclopentyl)methyl]-N-[5-(trifluoromethyl)pyrazolidin-3-yl]carbamimidoyl]benzamide
PubChem CID130434788
Molecular FormulaC19H25F4N5O
Molecular Weight415.44 g/mol
Exact Mass415.20
IUPAC Name4-fluoro-N-[N'-[(3-methylcyclopentyl)methyl]-N-[5-(trifluoromethyl)pyrazolidin-3-yl]carbamimidoyl]benzamide
SMILESCC1CCC(C/N=C(\NC(=O)c2ccc(F)cc2)NC2CC(C(F)(F)F)NN2)C1
InChIInChI=1S/C19H25F4N5O/c1-11-2-3-12(8-11)10-24-18(25-16-9-15(27-28-16)19(21,22)23)26-17(29)13-4-6-14(20)7-5-13/h4-7,11-12,15-16,27-28H,2-3,8-10H2,1H3,(H2,24,25,26,29)
InChIKeyJDDGVMCJZXRYRM-UHFFFAOYSA-N
XLogP2.69
TPSA77.55 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.44
LogP ≤ 52.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 4-fluoro-N-[N'-[(3-methylcyclopentyl)methyl]-N-[5-(trifluoromethyl)pyrazolidin-3-yl]carbamimidoyl]benzamide 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-[N'-[(2-chloro-4-fluorophenyl)methyl]-N-[5-(trifluoromethyl)pyrazolidin-3-yl]carbamimidoyl]-4-fluoro-3-methylbenzamide
CID 118375785
N-[N'-(2,2-dimethylpropyl)-N-[5-(4-fluorophenyl)pyrazolidin-3-yl]carbamimidoyl]-3,4-difluorobenzamide
CID 118375761
3,4-difluoro-N-[N-[5-(4-fluorophenyl)pyrazolidin-3-yl]-N'-(oxetan-2-ylmethyl)carbamimidoyl]benzamide
CID 118375562
N-[N'-(2-ethoxyethyl)-N-[5-(4-fluorophenyl)pyrazolidin-3-yl]carbamimidoyl]-3,4-difluorobenzamide
CID 118375538
N-[N'-[(2-chloro-4-fluorophenyl)methyl]-N-[5-(4-fluorophenyl)pyrazolidin-3-yl]carbamimidoyl]-4-fluorobenzamide
CID 118375712
N-[N-(3,4-dimethylphenyl)-N'-(oxolan-2-ylmethyl)carbamimidoyl]-4-fluorobenzamide
CID 50817583
N-[N-(4-fluorophenyl)-N'-[[(2R)-oxolan-2-yl]methyl]carbamimidoyl]-4-methylbenzamide
CID 94090234
4-chloro-3-fluoro-N-[N-[5-(4-fluorophenyl)pyrazolidin-3-yl]-N'-[(2-methyloxolan-2-yl)methyl]carbamimidoyl]benzamide
CID 118375521
N-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-4-fluorobenzamide
CID 171733091
(4-fluorophenyl)-[1-[2-[(1R,3S)-3-methylcyclopentyl]ethyl]piperidin-4-yl]methanone;methane
CID 158052051
N-[N-(5-chloro-2-methoxyphenyl)-N'-[[(2R)-oxolan-2-yl]methyl]carbamimidoyl]-4-fluorobenzamide
CID 94089634
N-[N'-[(2,4-difluorophenyl)methyl]-N-(4-hydroxycyclohexyl)carbamimidoyl]-3,4-difluorobenzamide
CID 57382816

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[N'-[(3-methylcyclopentyl)methyl]-N-[5-(trifluoromethyl)pyrazolidin-3-yl]carbamimidoyl]benzamide?
The IUPAC name of 4-fluoro-N-[N'-[(3-methylcyclopentyl)methyl]-N-[5-(trifluoromethyl)pyrazolidin-3-yl]carbamimidoyl]benzamide (CID 130434788) is 4-fluoro-N-[N'-[(3-methylcyclopentyl)methyl]-N-[5-(trifluoromethyl)pyrazolidin-3-yl]carbamimidoyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[N'-[(3-methylcyclopentyl)methyl]-N-[5-(trifluoromethyl)pyrazolidin-3-yl]carbamimidoyl]benzamide?
The canonical SMILES for 4-fluoro-N-[N'-[(3-methylcyclopentyl)methyl]-N-[5-(trifluoromethyl)pyrazolidin-3-yl]carbamimidoyl]benzamide is CC1CCC(C/N=C(\NC(=O)c2ccc(F)cc2)NC2CC(C(F)(F)F)NN2)C1.
What is the InChIKey of 4-fluoro-N-[N'-[(3-methylcyclopentyl)methyl]-N-[5-(trifluoromethyl)pyrazolidin-3-yl]carbamimidoyl]benzamide?
The InChIKey is JDDGVMCJZXRYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F4N5O/c1-11-2-3-12(8-11)10-24-18(25-16-9-15(27-28-16)19(21,22)23)26-17(29)13-4-6-14(20)7-5-13/h4-7,11-12,15-16,27-28H,2-3,8-10H2,1H3,(H2,24,25,26,29).
What are the key properties of 4-fluoro-N-[N'-[(3-methylcyclopentyl)methyl]-N-[5-(trifluoromethyl)pyrazolidin-3-yl]carbamimidoyl]benzamide?
4-fluoro-N-[N'-[(3-methylcyclopentyl)methyl]-N-[5-(trifluoromethyl)pyrazolidin-3-yl]carbamimidoyl]benzamide has a molecular weight of 415.44 g/mol, XLogP of 2.69, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[N'-[(3-methylcyclopentyl)methyl]-N-[5-(trifluoromethyl)pyrazolidin-3-yl]carbamimidoyl]benzamide is sourced from PubChem (CID 130434788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).