(1-propylpyrazol-4-yl)-(thiolan-2-yl)methanol

C11H18N2OS — CID 80621601

IUPAC(1-propylpyrazol-4-yl)-(thiolan-2-yl)methanol
SMILESCCCn1cc(C(O)C2CCCS2)cn1
InChIInChI=1S/C11H18N2OS/c1-2-5-13-8-9(7-12-13)11(14)10-4-3-6-15-10/h7-8,10-11,14H,2-6H2,1H3
InChIKeyMNQLHZILAOOFOC-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.22
Rot. Bonds4

About (1-propylpyrazol-4-yl)-(thiolan-2-yl)methanol

(1-propylpyrazol-4-yl)-(thiolan-2-yl)methanol (PubChem CID 80621601) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is (1-propylpyrazol-4-yl)-(thiolan-2-yl)methanol.

Molecular Properties

Compound Name(1-propylpyrazol-4-yl)-(thiolan-2-yl)methanol
PubChem CID80621601
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name(1-propylpyrazol-4-yl)-(thiolan-2-yl)methanol
SMILESCCCn1cc(C(O)C2CCCS2)cn1
InChIInChI=1S/C11H18N2OS/c1-2-5-13-8-9(7-12-13)11(14)10-4-3-6-15-10/h7-8,10-11,14H,2-6H2,1H3
InChIKeyMNQLHZILAOOFOC-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-dithian-2-yl-(1-propylpyrazol-4-yl)methanol
CID 79971179
cycloheptyl-(1-propylpyrazol-4-yl)methanol
CID 65398920
(1-propylpyrazol-4-yl)-(thiolan-3-yl)methanol
CID 105080812
(3-ethyl-1,4-dithian-2-yl)-(1-propylpyrazol-4-yl)methanol
CID 113299465
(3,5-dimethylcyclohexyl)-(1-propylpyrazol-4-yl)methanol
CID 103572566
cyclohex-3-en-1-yl-(1-propylpyrazol-4-yl)methanol
CID 63901804
oxolan-3-yl-(1-propylpyrazol-4-yl)methanol
CID 63893224
1,4-oxathian-2-yl-(1-propylpyrazol-4-yl)methanol
CID 79962789
1-oxaspiro[5.5]undecan-4-yl-(1-propylpyrazol-4-yl)methanol
CID 103572574
(3,3-difluorocyclopentyl)-(1-propylpyrazol-4-yl)methanol
CID 114215857
3-cyclopropyl-1-(1-propylpyrazol-4-yl)propan-1-ol
CID 106590646
(3-methylsulfonylcyclohexyl)-(1-propylpyrazol-4-yl)methanol
CID 103572548

Frequently Asked Questions

What is the IUPAC name of (1-propylpyrazol-4-yl)-(thiolan-2-yl)methanol?
The IUPAC name of (1-propylpyrazol-4-yl)-(thiolan-2-yl)methanol (CID 80621601) is (1-propylpyrazol-4-yl)-(thiolan-2-yl)methanol.
What is the SMILES notation for (1-propylpyrazol-4-yl)-(thiolan-2-yl)methanol?
The canonical SMILES for (1-propylpyrazol-4-yl)-(thiolan-2-yl)methanol is CCCn1cc(C(O)C2CCCS2)cn1.
What is the InChIKey of (1-propylpyrazol-4-yl)-(thiolan-2-yl)methanol?
The InChIKey is MNQLHZILAOOFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-2-5-13-8-9(7-12-13)11(14)10-4-3-6-15-10/h7-8,10-11,14H,2-6H2,1H3.
What are the key properties of (1-propylpyrazol-4-yl)-(thiolan-2-yl)methanol?
(1-propylpyrazol-4-yl)-(thiolan-2-yl)methanol has a molecular weight of 226.34 g/mol, XLogP of 2.22, 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-2-yl)methanol is sourced from PubChem (CID 80621601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).