N-ethyl-1-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine

C17H22FN3 — CID 107384471

IUPACN-ethyl-1-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine
SMILESCCNC1CCCCc2c1cnn2Cc1cccc(F)c1
InChIInChI=1S/C17H22FN3/c1-2-19-16-8-3-4-9-17-15(16)11-20-21(17)12-13-6-5-7-14(18)10-13/h5-7,10-11,16,19H,2-4,8-9,12H2,1H3
InChIKeyQRPGBYXWLIUKRB-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.45
Rot. Bonds4

About N-ethyl-1-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine

N-ethyl-1-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine (PubChem CID 107384471) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is N-ethyl-1-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine.

Molecular Properties

Compound NameN-ethyl-1-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine
PubChem CID107384471
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC NameN-ethyl-1-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine
SMILESCCNC1CCCCc2c1cnn2Cc1cccc(F)c1
InChIInChI=1S/C17H22FN3/c1-2-19-16-8-3-4-9-17-15(16)11-20-21(17)12-13-6-5-7-14(18)10-13/h5-7,10-11,16,19H,2-4,8-9,12H2,1H3
InChIKeyQRPGBYXWLIUKRB-UHFFFAOYSA-N
XLogP3.45
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-1-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine 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

2-[4-[(3-fluorophenyl)methylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 43752494
1-[(3-methylphenyl)methyl]-N-propyl-4,5,6,7-tetrahydroindazol-4-amine
CID 65356831
N-ethyl-1-[(2-methylphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 65356697
(4S)-1-benzyl-N-[(3-methylphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 34543294
1-[(4-chlorophenyl)methyl]-N-propyl-4,5,6,7-tetrahydroindazol-4-amine
CID 65356370
1-[2-(dimethylamino)ethyl]-N-ethyl-4,5,6,7-tetrahydroindazol-4-amine
CID 65356648
1-benzyl-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 86772207
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2,5-difluorobenzamide
CID 31899002
1-(3,4-dichlorophenyl)-N-ethyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine
CID 107384328
1-benzyl-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 55630003
1-ethyl-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine
CID 107384385
1-(3-bromophenyl)-N-ethyl-4,5,6,7-tetrahydroindazol-4-amine
CID 65356541

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine?
The IUPAC name of N-ethyl-1-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine (CID 107384471) is N-ethyl-1-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine.
What is the SMILES notation for N-ethyl-1-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine?
The canonical SMILES for N-ethyl-1-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine is CCNC1CCCCc2c1cnn2Cc1cccc(F)c1.
What is the InChIKey of N-ethyl-1-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine?
The InChIKey is QRPGBYXWLIUKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3/c1-2-19-16-8-3-4-9-17-15(16)11-20-21(17)12-13-6-5-7-14(18)10-13/h5-7,10-11,16,19H,2-4,8-9,12H2,1H3.
What are the key properties of N-ethyl-1-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine?
N-ethyl-1-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine has a molecular weight of 287.38 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine is sourced from PubChem (CID 107384471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).