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

C17H22ClN3 — CID 115989278

IUPAC3-(4-chlorophenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cyclobutan-1-amine
SMILESCCc1nn(C)cc1CNC1CC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H22ClN3/c1-3-17-14(11-21(2)20-17)10-19-16-8-13(9-16)12-4-6-15(18)7-5-12/h4-7,11,13,16,19H,3,8-10H2,1-2H3
InChIKeyCTFBCZFNKSYPEN-UHFFFAOYSA-N
MW303.84 g/mol
LogP3.67
Rot. Bonds5

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

3-(4-chlorophenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cyclobutan-1-amine (PubChem CID 115989278) has the molecular formula C17H22ClN3 and a molecular weight of 303.84 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cyclobutan-1-amine
PubChem CID115989278
Molecular FormulaC17H22ClN3
Molecular Weight303.84 g/mol
Exact Mass303.15
IUPAC Name3-(4-chlorophenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cyclobutan-1-amine
SMILESCCc1nn(C)cc1CNC1CC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H22ClN3/c1-3-17-14(11-21(2)20-17)10-19-16-8-13(9-16)12-4-6-15(18)7-5-12/h4-7,11,13,16,19H,3,8-10H2,1-2H3
InChIKeyCTFBCZFNKSYPEN-UHFFFAOYSA-N
XLogP3.67
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.84
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-phenylcyclobutan-1-amine
CID 115885655
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cycloheptanamine
CID 112549120
3-(4-chlorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-amine
CID 82882566
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
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]-2,5-dimethylcyclohexan-1-amine
CID 112668439
4-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-fluoroaniline
CID 112668861
3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2,2-dimethylcyclobutan-1-ol
CID 112639955

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-(4-chlorophenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cyclobutan-1-amine (CID 115989278) is 3-(4-chlorophenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-(4-chlorophenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cyclobutan-1-amine is CCc1nn(C)cc1CNC1CC(c2ccc(Cl)cc2)C1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cyclobutan-1-amine?
The InChIKey is CTFBCZFNKSYPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3/c1-3-17-14(11-21(2)20-17)10-19-16-8-13(9-16)12-4-6-15(18)7-5-12/h4-7,11,13,16,19H,3,8-10H2,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cyclobutan-1-amine?
3-(4-chlorophenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cyclobutan-1-amine has a molecular weight of 303.84 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 115989278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).