N-methyl-1-[2-(thiolan-3-yl)pyrazol-3-yl]methanamine

C9H15N3S — CID 105451026

IUPACN-methyl-1-[2-(thiolan-3-yl)pyrazol-3-yl]methanamine
SMILESCNCc1ccnn1C1CCSC1
InChIInChI=1S/C9H15N3S/c1-10-6-8-2-4-11-12(8)9-3-5-13-7-9/h2,4,9-10H,3,5-7H2,1H3
InChIKeyVAHSZVBVUSOJPN-UHFFFAOYSA-N
MW197.31 g/mol
LogP1.28
Rot. Bonds3

About N-methyl-1-[2-(thiolan-3-yl)pyrazol-3-yl]methanamine

N-methyl-1-[2-(thiolan-3-yl)pyrazol-3-yl]methanamine (PubChem CID 105451026) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is N-methyl-1-[2-(thiolan-3-yl)pyrazol-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(thiolan-3-yl)pyrazol-3-yl]methanamine
PubChem CID105451026
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC NameN-methyl-1-[2-(thiolan-3-yl)pyrazol-3-yl]methanamine
SMILESCNCc1ccnn1C1CCSC1
InChIInChI=1S/C9H15N3S/c1-10-6-8-2-4-11-12(8)9-3-5-13-7-9/h2,4,9-10H,3,5-7H2,1H3
InChIKeyVAHSZVBVUSOJPN-UHFFFAOYSA-N
XLogP1.28
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[2-(thietan-3-yl)pyrazol-3-yl]methanamine
CID 105440791
2-[2-(thiolan-3-yl)pyrazol-3-yl]ethanamine
CID 84733495
1-[2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-N-methylmethanamine
CID 105486942
2-(thiolan-3-yl)pyrazole-3-carbaldehyde
CID 84732470
2-[2-(thian-4-yl)pyrazol-3-yl]acetic acid
CID 84735820
N-[(2-cyclobutylpyrazol-3-yl)methyl]propan-2-amine
CID 165443973
5-methyl-1-(thian-4-yl)pyrazole
CID 84732484
2-(thian-3-yl)pyrazol-3-amine
CID 62872187
1-[2-(cyclobutylmethyl)pyrazol-3-yl]-N-methylmethanamine
CID 84768012
N-[(2-cyclopentylpyrazol-3-yl)methyl]-4-methylaniline
CID 19626139
3-[2-(thietan-3-yl)pyrazol-3-yl]propanoic acid
CID 105466031
N-[(2-methylpyrazol-3-yl)methyl]-1-(thian-4-yl)methanamine
CID 115671236

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(thiolan-3-yl)pyrazol-3-yl]methanamine?
The IUPAC name of N-methyl-1-[2-(thiolan-3-yl)pyrazol-3-yl]methanamine (CID 105451026) is N-methyl-1-[2-(thiolan-3-yl)pyrazol-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(thiolan-3-yl)pyrazol-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-(thiolan-3-yl)pyrazol-3-yl]methanamine is CNCc1ccnn1C1CCSC1.
What is the InChIKey of N-methyl-1-[2-(thiolan-3-yl)pyrazol-3-yl]methanamine?
The InChIKey is VAHSZVBVUSOJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-10-6-8-2-4-11-12(8)9-3-5-13-7-9/h2,4,9-10H,3,5-7H2,1H3.
What are the key properties of N-methyl-1-[2-(thiolan-3-yl)pyrazol-3-yl]methanamine?
N-methyl-1-[2-(thiolan-3-yl)pyrazol-3-yl]methanamine has a molecular weight of 197.31 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(thiolan-3-yl)pyrazol-3-yl]methanamine is sourced from PubChem (CID 105451026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).