N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-phenylcyclobutan-1-amine

C17H23N3 — CID 115885655

IUPACN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-phenylcyclobutan-1-amine
SMILESCCc1nn(C)cc1CNC1CC(c2ccccc2)C1
InChIInChI=1S/C17H23N3/c1-3-17-15(12-20(2)19-17)11-18-16-9-14(10-16)13-7-5-4-6-8-13/h4-8,12,14,16,18H,3,9-11H2,1-2H3
InChIKeyZZLQKHIZBYYKMI-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.02
Rot. Bonds5

About N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-phenylcyclobutan-1-amine

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-phenylcyclobutan-1-amine (PubChem CID 115885655) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-phenylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-phenylcyclobutan-1-amine
PubChem CID115885655
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-phenylcyclobutan-1-amine
SMILESCCc1nn(C)cc1CNC1CC(c2ccccc2)C1
InChIInChI=1S/C17H23N3/c1-3-17-15(12-20(2)19-17)11-18-16-9-14(10-16)13-7-5-4-6-8-13/h4-8,12,14,16,18H,3,9-11H2,1-2H3
InChIKeyZZLQKHIZBYYKMI-UHFFFAOYSA-N
XLogP3.02
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-phenylcyclobutan-1-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

3-(4-chlorophenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cyclobutan-1-amine
CID 115989278
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cycloheptanamine
CID 112549120
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylthiolan-3-amine
CID 112668397
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylsulfanylcyclohexan-1-amine
CID 103893990
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]spiro[4.5]decan-8-amine
CID 114817861
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 115885666
3-(3-bromophenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]cyclobutan-1-amine
CID 115989351
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 112549288
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-propan-2-yloxan-4-amine
CID 112550179
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methanamine
CID 128976699
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2,5-dimethylcyclohexan-1-amine
CID 112668439
3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2,2-dimethylcyclobutan-1-ol
CID 112639955

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-phenylcyclobutan-1-amine?
The IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-phenylcyclobutan-1-amine (CID 115885655) is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-phenylcyclobutan-1-amine.
What is the SMILES notation for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-phenylcyclobutan-1-amine?
The canonical SMILES for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-phenylcyclobutan-1-amine is CCc1nn(C)cc1CNC1CC(c2ccccc2)C1.
What is the InChIKey of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-phenylcyclobutan-1-amine?
The InChIKey is ZZLQKHIZBYYKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-3-17-15(12-20(2)19-17)11-18-16-9-14(10-16)13-7-5-4-6-8-13/h4-8,12,14,16,18H,3,9-11H2,1-2H3.
What are the key properties of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-phenylcyclobutan-1-amine?
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-phenylcyclobutan-1-amine has a molecular weight of 269.39 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-phenylcyclobutan-1-amine is sourced from PubChem (CID 115885655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).