(1-propylpyrazol-4-yl)-(thiolan-3-yl)methanol

C11H18N2OS — CID 105080812

IUPAC(1-propylpyrazol-4-yl)-(thiolan-3-yl)methanol
SMILESCCCn1cc(C(O)C2CCSC2)cn1
InChIInChI=1S/C11H18N2OS/c1-2-4-13-7-10(6-12-13)11(14)9-3-5-15-8-9/h6-7,9,11,14H,2-5,8H2,1H3
InChIKeyVUEXWIJMSZGDPE-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.08
Rot. Bonds4

About (1-propylpyrazol-4-yl)-(thiolan-3-yl)methanol

(1-propylpyrazol-4-yl)-(thiolan-3-yl)methanol (PubChem CID 105080812) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is (1-propylpyrazol-4-yl)-(thiolan-3-yl)methanol.

Molecular Properties

Compound Name(1-propylpyrazol-4-yl)-(thiolan-3-yl)methanol
PubChem CID105080812
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name(1-propylpyrazol-4-yl)-(thiolan-3-yl)methanol
SMILESCCCn1cc(C(O)C2CCSC2)cn1
InChIInChI=1S/C11H18N2OS/c1-2-4-13-7-10(6-12-13)11(14)9-3-5-15-8-9/h6-7,9,11,14H,2-5,8H2,1H3
InChIKeyVUEXWIJMSZGDPE-UHFFFAOYSA-N
XLogP2.08
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cycloheptyl-(1-propylpyrazol-4-yl)methanol
CID 65398920
1,4-dithian-2-yl-(1-propylpyrazol-4-yl)methanol
CID 79971179
1,4-oxathian-2-yl-(1-propylpyrazol-4-yl)methanol
CID 79962789
(3,5-dimethylcyclohexyl)-(1-propylpyrazol-4-yl)methanol
CID 103572566
cyclohex-3-en-1-yl-(1-propylpyrazol-4-yl)methanol
CID 63901804
(1-propylpyrazol-4-yl)-(thiolan-2-yl)methanol
CID 80621601
oxolan-3-yl-(1-propylpyrazol-4-yl)methanol
CID 63893224
(3,3-difluorocyclopentyl)-(1-propylpyrazol-4-yl)methanol
CID 114215857
(3-ethyl-1,4-dithian-2-yl)-(1-propylpyrazol-4-yl)methanol
CID 113299465
(1-methylpyrazol-4-yl)-(thiolan-3-yl)methanamine
CID 105104673
[1-(1-propylpyrazol-4-yl)-2-(thian-4-yl)ethyl]hydrazine
CID 105288638
(3-methylsulfonylcyclohexyl)-(1-propylpyrazol-4-yl)methanol
CID 103572548

Frequently Asked Questions

What is the IUPAC name of (1-propylpyrazol-4-yl)-(thiolan-3-yl)methanol?
The IUPAC name of (1-propylpyrazol-4-yl)-(thiolan-3-yl)methanol (CID 105080812) is (1-propylpyrazol-4-yl)-(thiolan-3-yl)methanol.
What is the SMILES notation for (1-propylpyrazol-4-yl)-(thiolan-3-yl)methanol?
The canonical SMILES for (1-propylpyrazol-4-yl)-(thiolan-3-yl)methanol is CCCn1cc(C(O)C2CCSC2)cn1.
What is the InChIKey of (1-propylpyrazol-4-yl)-(thiolan-3-yl)methanol?
The InChIKey is VUEXWIJMSZGDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-2-4-13-7-10(6-12-13)11(14)9-3-5-15-8-9/h6-7,9,11,14H,2-5,8H2,1H3.
What are the key properties of (1-propylpyrazol-4-yl)-(thiolan-3-yl)methanol?
(1-propylpyrazol-4-yl)-(thiolan-3-yl)methanol has a molecular weight of 226.34 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propylpyrazol-4-yl)-(thiolan-3-yl)methanol is sourced from PubChem (CID 105080812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).