4-[1-(4-fluorophenyl)cyclopropyl]-5-oxo-N-phenyl-N-propan-2-yltetrazole-1-carboxamide

C20H20FN5O2 — CID 10199837

IUPAC4-[1-(4-fluorophenyl)cyclopropyl]-5-oxo-N-phenyl-N-propan-2-yltetrazole-1-carboxamide
SMILESCC(C)N(C(=O)n1nnn(C2(c3ccc(F)cc3)CC2)c1=O)c1ccccc1
InChIInChI=1S/C20H20FN5O2/c1-14(2)24(17-6-4-3-5-7-17)18(27)25-19(28)26(23-22-25)20(12-13-20)15-8-10-16(21)11-9-15/h3-11,14H,12-13H2,1-2H3
InChIKeyALYDDYUWYGHZKM-UHFFFAOYSA-N
MW381.41 g/mol
LogP3.00
Rot. Bonds4

About 4-[1-(4-fluorophenyl)cyclopropyl]-5-oxo-N-phenyl-N-propan-2-yltetrazole-1-carboxamide

4-[1-(4-fluorophenyl)cyclopropyl]-5-oxo-N-phenyl-N-propan-2-yltetrazole-1-carboxamide (PubChem CID 10199837) has the molecular formula C20H20FN5O2 and a molecular weight of 381.41 g/mol. Its IUPAC name is 4-[1-(4-fluorophenyl)cyclopropyl]-5-oxo-N-phenyl-N-propan-2-yltetrazole-1-carboxamide.

Molecular Properties

Compound Name4-[1-(4-fluorophenyl)cyclopropyl]-5-oxo-N-phenyl-N-propan-2-yltetrazole-1-carboxamide
PubChem CID10199837
Molecular FormulaC20H20FN5O2
Molecular Weight381.41 g/mol
Exact Mass381.16
IUPAC Name4-[1-(4-fluorophenyl)cyclopropyl]-5-oxo-N-phenyl-N-propan-2-yltetrazole-1-carboxamide
SMILESCC(C)N(C(=O)n1nnn(C2(c3ccc(F)cc3)CC2)c1=O)c1ccccc1
InChIInChI=1S/C20H20FN5O2/c1-14(2)24(17-6-4-3-5-7-17)18(27)25-19(28)26(23-22-25)20(12-13-20)15-8-10-16(21)11-9-15/h3-11,14H,12-13H2,1-2H3
InChIKeyALYDDYUWYGHZKM-UHFFFAOYSA-N
XLogP3.00
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[1-(4-fluorophenyl)cyclopropyl]-5-oxo-N-phenyl-N-propan-2-yltetrazole-1-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

Trefentanil
CID 60728
Trefentanil Hydrochloride
CID 60727
Bicarbamimide, 2-(alpha-methylphenethyl)-3-phenyl-
CID 24835732
1,2-Bis-(2-fluoro-benzyl)-4-phenyl-[1,2,4]triazolidine-3,5-dione
CID 573043
1-[(1S,2R)-2-(3,4-difluorophenyl)cyclopent-3-en-1-yl]-4-phenyl-1,2,4-triazolidine-3,5-dione
CID 12995194
1-[(4-Fluorophenyl)methyl]-4-phenyltetrazol-5-one
CID 17479808
1,2-Bis(4-fluorobenzyl)-4-phenyl-1,2,4-triazolidine-3,5-dione
CID 1324040
1-Ethyl-1-(2-fluorophenyl)-3-methyl-3-(1-phenylethenyl)urea
CID 71546750
4-(4-Fluorophenyl)-1-methyl-3-phenyl-4-imidazolin-2-one
CID 14459256
N-(2,4-difluorophenyl)-1-(2-methylphenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide
CID 15457286
N-(2,4-difluorophenyl)-1-(2,3-dimethylphenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide
CID 15457287
N-(4-fluorophenyl)-1-(2-methylphenyl)-5-oxo-N-propan-2-yl-1,2,4-triazole-4-carboxamide
CID 15457295

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-fluorophenyl)cyclopropyl]-5-oxo-N-phenyl-N-propan-2-yltetrazole-1-carboxamide?
The IUPAC name of 4-[1-(4-fluorophenyl)cyclopropyl]-5-oxo-N-phenyl-N-propan-2-yltetrazole-1-carboxamide (CID 10199837) is 4-[1-(4-fluorophenyl)cyclopropyl]-5-oxo-N-phenyl-N-propan-2-yltetrazole-1-carboxamide.
What is the SMILES notation for 4-[1-(4-fluorophenyl)cyclopropyl]-5-oxo-N-phenyl-N-propan-2-yltetrazole-1-carboxamide?
The canonical SMILES for 4-[1-(4-fluorophenyl)cyclopropyl]-5-oxo-N-phenyl-N-propan-2-yltetrazole-1-carboxamide is CC(C)N(C(=O)n1nnn(C2(c3ccc(F)cc3)CC2)c1=O)c1ccccc1.
What is the InChIKey of 4-[1-(4-fluorophenyl)cyclopropyl]-5-oxo-N-phenyl-N-propan-2-yltetrazole-1-carboxamide?
The InChIKey is ALYDDYUWYGHZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O2/c1-14(2)24(17-6-4-3-5-7-17)18(27)25-19(28)26(23-22-25)20(12-13-20)15-8-10-16(21)11-9-15/h3-11,14H,12-13H2,1-2H3.
What are the key properties of 4-[1-(4-fluorophenyl)cyclopropyl]-5-oxo-N-phenyl-N-propan-2-yltetrazole-1-carboxamide?
4-[1-(4-fluorophenyl)cyclopropyl]-5-oxo-N-phenyl-N-propan-2-yltetrazole-1-carboxamide has a molecular weight of 381.41 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-fluorophenyl)cyclopropyl]-5-oxo-N-phenyl-N-propan-2-yltetrazole-1-carboxamide is sourced from PubChem (CID 10199837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).