N-[(2-methylpyrazol-3-yl)methyl]-1-(thian-4-yl)methanamine

C11H19N3S — CID 115671236

IUPACN-[(2-methylpyrazol-3-yl)methyl]-1-(thian-4-yl)methanamine
SMILESCn1nccc1CNCC1CCSCC1
InChIInChI=1S/C11H19N3S/c1-14-11(2-5-13-14)9-12-8-10-3-6-15-7-4-10/h2,5,10,12H,3-4,6-9H2,1H3
InChIKeyVYGLSSYGANDJBX-UHFFFAOYSA-N
MW225.36 g/mol
LogP1.65
Rot. Bonds4

About N-[(2-methylpyrazol-3-yl)methyl]-1-(thian-4-yl)methanamine

N-[(2-methylpyrazol-3-yl)methyl]-1-(thian-4-yl)methanamine (PubChem CID 115671236) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is N-[(2-methylpyrazol-3-yl)methyl]-1-(thian-4-yl)methanamine.

Molecular Properties

Compound NameN-[(2-methylpyrazol-3-yl)methyl]-1-(thian-4-yl)methanamine
PubChem CID115671236
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC NameN-[(2-methylpyrazol-3-yl)methyl]-1-(thian-4-yl)methanamine
SMILESCn1nccc1CNCC1CCSCC1
InChIInChI=1S/C11H19N3S/c1-14-11(2-5-13-14)9-12-8-10-3-6-15-7-4-10/h2,5,10,12H,3-4,6-9H2,1H3
InChIKeyVYGLSSYGANDJBX-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 43663124
N-[(2-methylpyrazol-3-yl)methyl]-1-piperidin-4-ylmethanamine
CID 79707316
N-[(2-methylpyrazol-3-yl)methyl]-1-(oxolan-3-yl)methanamine
CID 60920797
N-[(2-methylpyrazol-3-yl)methyl]-1-piperidin-3-ylmethanamine
CID 80554998
N-[(2-methylpyrazol-3-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 43663218
1-cyclopropyl-N-[(2-ethylpyrazol-3-yl)methyl]methanamine
CID 115761680
1-(1,3-dioxan-4-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 81102183
1-cyclopentyl-3-[(2-methylpyrazol-3-yl)methylamino]propan-2-ol
CID 103157779
1-cyclopentyl-2-[(2-methylpyrazol-3-yl)methylamino]ethanol
CID 115671255
2-cyclopentyloxy-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 63001881
1-(dicyclopropylmethyl)-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 36977921
1-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 126922061

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]-1-(thian-4-yl)methanamine?
The IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]-1-(thian-4-yl)methanamine (CID 115671236) is N-[(2-methylpyrazol-3-yl)methyl]-1-(thian-4-yl)methanamine.
What is the SMILES notation for N-[(2-methylpyrazol-3-yl)methyl]-1-(thian-4-yl)methanamine?
The canonical SMILES for N-[(2-methylpyrazol-3-yl)methyl]-1-(thian-4-yl)methanamine is Cn1nccc1CNCC1CCSCC1.
What is the InChIKey of N-[(2-methylpyrazol-3-yl)methyl]-1-(thian-4-yl)methanamine?
The InChIKey is VYGLSSYGANDJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-14-11(2-5-13-14)9-12-8-10-3-6-15-7-4-10/h2,5,10,12H,3-4,6-9H2,1H3.
What are the key properties of N-[(2-methylpyrazol-3-yl)methyl]-1-(thian-4-yl)methanamine?
N-[(2-methylpyrazol-3-yl)methyl]-1-(thian-4-yl)methanamine has a molecular weight of 225.36 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrazol-3-yl)methyl]-1-(thian-4-yl)methanamine is sourced from PubChem (CID 115671236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).