N-[(1-methylpyrazol-3-yl)-(thiolan-3-yl)methyl]ethanamine

C11H19N3S — CID 103135015

IUPACN-[(1-methylpyrazol-3-yl)-(thiolan-3-yl)methyl]ethanamine
SMILESCCNC(c1ccn(C)n1)C1CCSC1
InChIInChI=1S/C11H19N3S/c1-3-12-11(9-5-7-15-8-9)10-4-6-14(2)13-10/h4,6,9,11-12H,3,5,7-8H2,1-2H3
InChIKeyDOMLQYBOHGMLLH-UHFFFAOYSA-N
MW225.36 g/mol
LogP1.82
Rot. Bonds4

About N-[(1-methylpyrazol-3-yl)-(thiolan-3-yl)methyl]ethanamine

N-[(1-methylpyrazol-3-yl)-(thiolan-3-yl)methyl]ethanamine (PubChem CID 103135015) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is N-[(1-methylpyrazol-3-yl)-(thiolan-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-methylpyrazol-3-yl)-(thiolan-3-yl)methyl]ethanamine
PubChem CID103135015
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC NameN-[(1-methylpyrazol-3-yl)-(thiolan-3-yl)methyl]ethanamine
SMILESCCNC(c1ccn(C)n1)C1CCSC1
InChIInChI=1S/C11H19N3S/c1-3-12-11(9-5-7-15-8-9)10-4-6-14(2)13-10/h4,6,9,11-12H,3,5,7-8H2,1-2H3
InChIKeyDOMLQYBOHGMLLH-UHFFFAOYSA-N
XLogP1.82
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylpyrazol-3-yl)-(4-propylcyclohexyl)methyl]ethanamine
CID 103130946
N-[(1-methylpyrazol-3-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methyl]ethanamine
CID 114097404
[cyclopropyl-(1-methylpyrazol-3-yl)methyl]hydrazine
CID 105228557
N-[2,3-dihydro-1H-inden-1-yl-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 103130973
2-(1-methylpyrazol-3-yl)-1-(thiolan-3-yl)ethanamine
CID 105175095
1-(3-ethylcyclopentyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
CID 103130959
N-[(4-cyclopropyloxyphenyl)-(thiolan-3-yl)methyl]ethanamine
CID 105188447
N-[1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 103135539
N-[(1-methylpyrazol-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]propan-1-amine
CID 103130978
N-[(3,4-diethoxyphenyl)-(thiolan-3-yl)methyl]ethanamine
CID 105143428
N-[(2-methylphenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 65200482
2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(thiolan-3-yl)ethanamine
CID 105157060

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-3-yl)-(thiolan-3-yl)methyl]ethanamine?
The IUPAC name of N-[(1-methylpyrazol-3-yl)-(thiolan-3-yl)methyl]ethanamine (CID 103135015) is N-[(1-methylpyrazol-3-yl)-(thiolan-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(1-methylpyrazol-3-yl)-(thiolan-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(1-methylpyrazol-3-yl)-(thiolan-3-yl)methyl]ethanamine is CCNC(c1ccn(C)n1)C1CCSC1.
What is the InChIKey of N-[(1-methylpyrazol-3-yl)-(thiolan-3-yl)methyl]ethanamine?
The InChIKey is DOMLQYBOHGMLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-3-12-11(9-5-7-15-8-9)10-4-6-14(2)13-10/h4,6,9,11-12H,3,5,7-8H2,1-2H3.
What are the key properties of N-[(1-methylpyrazol-3-yl)-(thiolan-3-yl)methyl]ethanamine?
N-[(1-methylpyrazol-3-yl)-(thiolan-3-yl)methyl]ethanamine has a molecular weight of 225.36 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-3-yl)-(thiolan-3-yl)methyl]ethanamine is sourced from PubChem (CID 103135015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).