(1-methylpyrazol-4-yl)-(thiolan-3-yl)methanamine

C9H15N3S — CID 105104673

IUPAC(1-methylpyrazol-4-yl)-(thiolan-3-yl)methanamine
SMILESCn1cc(C(N)C2CCSC2)cn1
InChIInChI=1S/C9H15N3S/c1-12-5-8(4-11-12)9(10)7-2-3-13-6-7/h4-5,7,9H,2-3,6,10H2,1H3
InChIKeyZMGQAPICDYDUFT-UHFFFAOYSA-N
MW197.31 g/mol
LogP1.17
Rot. Bonds2

About (1-methylpyrazol-4-yl)-(thiolan-3-yl)methanamine

(1-methylpyrazol-4-yl)-(thiolan-3-yl)methanamine (PubChem CID 105104673) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is (1-methylpyrazol-4-yl)-(thiolan-3-yl)methanamine.

Molecular Properties

Compound Name(1-methylpyrazol-4-yl)-(thiolan-3-yl)methanamine
PubChem CID105104673
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name(1-methylpyrazol-4-yl)-(thiolan-3-yl)methanamine
SMILESCn1cc(C(N)C2CCSC2)cn1
InChIInChI=1S/C9H15N3S/c1-12-5-8(4-11-12)9(10)7-2-3-13-6-7/h4-5,7,9H,2-3,6,10H2,1H3
InChIKeyZMGQAPICDYDUFT-UHFFFAOYSA-N
XLogP1.17
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-propylpyrazol-4-yl)-(thiolan-3-yl)methanol
CID 105080812
2-amino-2-(1-methylpyrazol-4-yl)-1-(3-methylthiomorpholin-4-yl)ethanone
CID 115290754
1-cyclopropyl-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 43485930
N'-(dicyclopropylmethyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 115291218
(1-methylpyrazol-4-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 79911940
pyrazin-2-yl(thiolan-3-yl)methanamine
CID 105150077
1-(1-methylpyrazol-4-yl)-2-thiomorpholin-4-ylethanamine
CID 115291117
2-(1-methylpyrazol-3-yl)-1-(thiolan-3-yl)ethanamine
CID 105175095
[2-cyclopropyl-2-methoxy-1-(1-methylpyrazol-4-yl)ethyl]hydrazine
CID 105272675
(1R)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 93094324
(S)-cyclopropyl-(1-prop-2-enylpyrazol-4-yl)methanamine
CID 97178783
(5-propoxy-3-pyridinyl)-(thiolan-3-yl)methanamine
CID 105175729

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-4-yl)-(thiolan-3-yl)methanamine?
The IUPAC name of (1-methylpyrazol-4-yl)-(thiolan-3-yl)methanamine (CID 105104673) is (1-methylpyrazol-4-yl)-(thiolan-3-yl)methanamine.
What is the SMILES notation for (1-methylpyrazol-4-yl)-(thiolan-3-yl)methanamine?
The canonical SMILES for (1-methylpyrazol-4-yl)-(thiolan-3-yl)methanamine is Cn1cc(C(N)C2CCSC2)cn1.
What is the InChIKey of (1-methylpyrazol-4-yl)-(thiolan-3-yl)methanamine?
The InChIKey is ZMGQAPICDYDUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-12-5-8(4-11-12)9(10)7-2-3-13-6-7/h4-5,7,9H,2-3,6,10H2,1H3.
What are the key properties of (1-methylpyrazol-4-yl)-(thiolan-3-yl)methanamine?
(1-methylpyrazol-4-yl)-(thiolan-3-yl)methanamine has a molecular weight of 197.31 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-4-yl)-(thiolan-3-yl)methanamine is sourced from PubChem (CID 105104673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).