1-(2-ethylpyrazol-3-yl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine

C11H19N3S — CID 107267292

IUPAC1-(2-ethylpyrazol-3-yl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine
SMILESCCn1nccc1CNCC1(SC)CC1
InChIInChI=1S/C11H19N3S/c1-3-14-10(4-7-13-14)8-12-9-11(15-2)5-6-11/h4,7,12H,3,5-6,8-9H2,1-2H3
InChIKeyPZPOLAOAWZCFJM-UHFFFAOYSA-N
MW225.36 g/mol
LogP1.89
Rot. Bonds6

About 1-(2-ethylpyrazol-3-yl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine

1-(2-ethylpyrazol-3-yl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine (PubChem CID 107267292) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 1-(2-ethylpyrazol-3-yl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-ethylpyrazol-3-yl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine
PubChem CID107267292
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name1-(2-ethylpyrazol-3-yl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine
SMILESCCn1nccc1CNCC1(SC)CC1
InChIInChI=1S/C11H19N3S/c1-3-14-10(4-7-13-14)8-12-9-11(15-2)5-6-11/h4,7,12H,3,5-6,8-9H2,1-2H3
InChIKeyPZPOLAOAWZCFJM-UHFFFAOYSA-N
XLogP1.89
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(2-ethylpyrazol-3-yl)methylamino]methyl]oxolan-3-ol
CID 115765922
1-cyclopropyl-N-[(2-ethylpyrazol-3-yl)methyl]methanamine
CID 115761680
1-(2-ethylpyrazol-3-yl)-N-[(2-propylpyrazol-3-yl)methyl]methanamine
CID 19625523
N-[(2-ethylpyrazol-3-yl)methyl]-5-methylsulfanylpentan-1-amine
CID 104923234
1-[[(2-ethylpyrazol-3-yl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 115762055
N-[(2-ethylpyrazol-3-yl)methyl]-2-methoxyethanamine;hydrochloride
CID 126964497
N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-(2-ethylpyrazol-3-yl)methanamine
CID 122169168
1-(2-ethylpyrazol-3-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 104589102
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(2-propylpyrazol-3-yl)methanamine
CID 107163325
2-[(2-ethylpyrazol-3-yl)methylamino]propane-1,3-diol
CID 115762526
N-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]methyl]-1-(2-ethylpyrazol-3-yl)methanamine
CID 124932286
N-[(2-ethylpyrazol-3-yl)methyl]-2-methylbutan-2-amine
CID 75525238

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpyrazol-3-yl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine?
The IUPAC name of 1-(2-ethylpyrazol-3-yl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine (CID 107267292) is 1-(2-ethylpyrazol-3-yl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine.
What is the SMILES notation for 1-(2-ethylpyrazol-3-yl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine?
The canonical SMILES for 1-(2-ethylpyrazol-3-yl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine is CCn1nccc1CNCC1(SC)CC1.
What is the InChIKey of 1-(2-ethylpyrazol-3-yl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine?
The InChIKey is PZPOLAOAWZCFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-3-14-10(4-7-13-14)8-12-9-11(15-2)5-6-11/h4,7,12H,3,5-6,8-9H2,1-2H3.
What are the key properties of 1-(2-ethylpyrazol-3-yl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine?
1-(2-ethylpyrazol-3-yl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine has a molecular weight of 225.36 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpyrazol-3-yl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine is sourced from PubChem (CID 107267292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).