N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylthiolan-3-amine

C12H21N3S — CID 112668397

IUPACN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylthiolan-3-amine
SMILESCCc1nn(C)cc1CNC1CSC(C)C1
InChIInChI=1S/C12H21N3S/c1-4-12-10(7-15(3)14-12)6-13-11-5-9(2)16-8-11/h7,9,11,13H,4-6,8H2,1-3H3
InChIKeySDKQBADQDDUSHW-UHFFFAOYSA-N
MW239.39 g/mol
LogP1.97
Rot. Bonds4

About N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylthiolan-3-amine

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylthiolan-3-amine (PubChem CID 112668397) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylthiolan-3-amine.

Molecular Properties

Compound NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylthiolan-3-amine
PubChem CID112668397
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylthiolan-3-amine
SMILESCCc1nn(C)cc1CNC1CSC(C)C1
InChIInChI=1S/C12H21N3S/c1-4-12-10(7-15(3)14-12)6-13-11-5-9(2)16-8-11/h7,9,11,13H,4-6,8H2,1-3H3
InChIKeySDKQBADQDDUSHW-UHFFFAOYSA-N
XLogP1.97
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cycloheptanamine
CID 112549120
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-phenylcyclobutan-1-amine
CID 115885655
3-(4-chlorophenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cyclobutan-1-amine
CID 115989278
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylsulfanylcyclohexan-1-amine
CID 103893990
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2,5-dimethylcyclohexan-1-amine
CID 112668439
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]spiro[4.5]decan-8-amine
CID 114817861
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylcyclopentan-1-amine
CID 112549510
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]-2,4,4-trimethylcyclopentan-1-amine
CID 106662742
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-propan-2-yloxan-4-amine
CID 112550179
3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-2,2-dimethylcyclobutan-1-ol
CID 112639955
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-propylcycloheptan-1-amine
CID 115989316

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylthiolan-3-amine?
The IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylthiolan-3-amine (CID 112668397) is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylthiolan-3-amine.
What is the SMILES notation for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylthiolan-3-amine?
The canonical SMILES for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylthiolan-3-amine is CCc1nn(C)cc1CNC1CSC(C)C1.
What is the InChIKey of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylthiolan-3-amine?
The InChIKey is SDKQBADQDDUSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-4-12-10(7-15(3)14-12)6-13-11-5-9(2)16-8-11/h7,9,11,13H,4-6,8H2,1-3H3.
What are the key properties of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylthiolan-3-amine?
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylthiolan-3-amine has a molecular weight of 239.39 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylthiolan-3-amine is sourced from PubChem (CID 112668397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).