N-[(4-fluorophenyl)methyl]-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide

C17H20FN3O — CID 20892457

IUPACN-[(4-fluorophenyl)methyl]-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
SMILESO=C(Cn1cc2c(n1)CCCCC2)NCc1ccc(F)cc1
InChIInChI=1S/C17H20FN3O/c18-15-8-6-13(7-9-15)10-19-17(22)12-21-11-14-4-2-1-3-5-16(14)20-21/h6-9,11H,1-5,10,12H2,(H,19,22)
InChIKeyMBPJHUWAALGRAZ-UHFFFAOYSA-N
MW301.36 g/mol
LogP2.61
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide

N-[(4-fluorophenyl)methyl]-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide (PubChem CID 20892457) has the molecular formula C17H20FN3O and a molecular weight of 301.36 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
PubChem CID20892457
Molecular FormulaC17H20FN3O
Molecular Weight301.36 g/mol
Exact Mass301.16
IUPAC NameN-[(4-fluorophenyl)methyl]-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
SMILESO=C(Cn1cc2c(n1)CCCCC2)NCc1ccc(F)cc1
InChIInChI=1S/C17H20FN3O/c18-15-8-6-13(7-9-15)10-19-17(22)12-21-11-14-4-2-1-3-5-16(14)20-21/h6-9,11H,1-5,10,12H2,(H,19,22)
InChIKeyMBPJHUWAALGRAZ-UHFFFAOYSA-N
XLogP2.61
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-fluorophenyl)methyl]-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide 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-(2-phenylethyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
CID 126457056
2-(4,5,6,7,8,9-hexahydrocycloocta[c]pyrazol-2-yl)-N-methylacetamide
CID 20892501
N-[2-(1H-indol-3-yl)ethyl]-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
CID 46261613
N-[(3,5-difluorophenyl)methyl]-2-(6,7-dihydro-4H-pyrano[4,3-c]pyrazol-2-yl)acetamide
CID 138033641
2-(4,5,6,7,8,9-hexahydrocycloocta[c]pyrazol-2-yl)acetic acid
CID 20887528
N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 20892336
2-(4-bromo-3-methylpyrazol-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 19517093
N-[2-(4-sulfamoylphenyl)ethyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 126458568
N-[(4-methylphenyl)methyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 20892369
N-(2-bromophenyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309546
1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]triazole-4-carboxylic acid
CID 62059422
N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-(tetrazol-1-yl)acetamide
CID 134025159

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide (CID 20892457) is N-[(4-fluorophenyl)methyl]-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide is O=C(Cn1cc2c(n1)CCCCC2)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide?
The InChIKey is MBPJHUWAALGRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O/c18-15-8-6-13(7-9-15)10-19-17(22)12-21-11-14-4-2-1-3-5-16(14)20-21/h6-9,11H,1-5,10,12H2,(H,19,22).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide?
N-[(4-fluorophenyl)methyl]-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide has a molecular weight of 301.36 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide is sourced from PubChem (CID 20892457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).