(4-chloro-1-methylpyrazol-5-yl)-(thian-2-yl)methanol

C10H15ClN2OS — CID 114645048

IUPAC(4-chloro-1-methylpyrazol-5-yl)-(thian-2-yl)methanol
SMILESCn1ncc(Cl)c1C(O)C1CCCCS1
InChIInChI=1S/C10H15ClN2OS/c1-13-9(7(11)6-12-13)10(14)8-4-2-3-5-15-8/h6,8,10,14H,2-5H2,1H3
InChIKeyVEUINKFGDIKDBH-UHFFFAOYSA-N
MW246.76 g/mol
LogP2.39
Rot. Bonds2

About (4-chloro-1-methylpyrazol-5-yl)-(thian-2-yl)methanol

(4-chloro-1-methylpyrazol-5-yl)-(thian-2-yl)methanol (PubChem CID 114645048) has the molecular formula C10H15ClN2OS and a molecular weight of 246.76 g/mol. Its IUPAC name is (4-chloro-1-methylpyrazol-5-yl)-(thian-2-yl)methanol.

Molecular Properties

Compound Name(4-chloro-1-methylpyrazol-5-yl)-(thian-2-yl)methanol
PubChem CID114645048
Molecular FormulaC10H15ClN2OS
Molecular Weight246.76 g/mol
Exact Mass246.06
IUPAC Name(4-chloro-1-methylpyrazol-5-yl)-(thian-2-yl)methanol
SMILESCn1ncc(Cl)c1C(O)C1CCCCS1
InChIInChI=1S/C10H15ClN2OS/c1-13-9(7(11)6-12-13)10(14)8-4-2-3-5-15-8/h6,8,10,14H,2-5H2,1H3
InChIKeyVEUINKFGDIKDBH-UHFFFAOYSA-N
XLogP2.39
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.76
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-chloro-1-methylpyrazol-5-yl)-(thian-2-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-bromo-1-methylpyrazol-5-yl)-(thiolan-2-yl)methanol
CID 114645036
(4-chloro-1-methylpyrazol-5-yl)-(2-methylcyclopentyl)methanol
CID 107192965
1-(4-chloro-1-methylpyrazol-5-yl)-2-cycloheptylethanol
CID 115836779
(4-chloro-1-methylpyrazol-5-yl)-(3-ethyl-1,4-dithian-2-yl)methanol
CID 114645209
(4-chloro-1-methylpyrazol-5-yl)-(3-methylcyclopentyl)methanol
CID 114644064
(4-chloro-1-methylpyrazol-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methanol
CID 115836740
[(4-chloro-1-propylpyrazol-5-yl)-(thian-2-yl)methyl]hydrazine
CID 105255730
(4-chloro-1-methylpyrazol-5-yl)-(1,4-dithian-2-yl)methanamine
CID 114658031
(4-chloro-1-methylpyrazol-5-yl)-[3-(trifluoromethyl)cyclohexyl]methanol
CID 105129742
N-[(4-bromo-1-methylpyrazol-5-yl)-(thian-2-yl)methyl]ethanamine
CID 114658946
N-[(4-chloro-1-methylpyrazol-5-yl)-cyclohexylmethyl]ethanamine
CID 114647881
[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(thiolan-2-yl)methyl]hydrazine
CID 105255597

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-(thian-2-yl)methanol?
The IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-(thian-2-yl)methanol (CID 114645048) is (4-chloro-1-methylpyrazol-5-yl)-(thian-2-yl)methanol.
What is the SMILES notation for (4-chloro-1-methylpyrazol-5-yl)-(thian-2-yl)methanol?
The canonical SMILES for (4-chloro-1-methylpyrazol-5-yl)-(thian-2-yl)methanol is Cn1ncc(Cl)c1C(O)C1CCCCS1.
What is the InChIKey of (4-chloro-1-methylpyrazol-5-yl)-(thian-2-yl)methanol?
The InChIKey is VEUINKFGDIKDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2OS/c1-13-9(7(11)6-12-13)10(14)8-4-2-3-5-15-8/h6,8,10,14H,2-5H2,1H3.
What are the key properties of (4-chloro-1-methylpyrazol-5-yl)-(thian-2-yl)methanol?
(4-chloro-1-methylpyrazol-5-yl)-(thian-2-yl)methanol has a molecular weight of 246.76 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-methylpyrazol-5-yl)-(thian-2-yl)methanol is sourced from PubChem (CID 114645048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).