(1-propylpyrazol-4-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol

C15H20N2OS — CID 114981600

IUPAC(1-propylpyrazol-4-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
SMILESCCCn1cc(C(O)c2cc3c(s2)CCCC3)cn1
InChIInChI=1S/C15H20N2OS/c1-2-7-17-10-12(9-16-17)15(18)14-8-11-5-3-4-6-13(11)19-14/h8-10,15,18H,2-7H2,1H3
InChIKeyRESVTUIUZFDBMV-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.32
Rot. Bonds4

About (1-propylpyrazol-4-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol

(1-propylpyrazol-4-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol (PubChem CID 114981600) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is (1-propylpyrazol-4-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol.

Molecular Properties

Compound Name(1-propylpyrazol-4-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
PubChem CID114981600
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC Name(1-propylpyrazol-4-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
SMILESCCCn1cc(C(O)c2cc3c(s2)CCCC3)cn1
InChIInChI=1S/C15H20N2OS/c1-2-7-17-10-12(9-16-17)15(18)14-8-11-5-3-4-6-13(11)19-14/h8-10,15,18H,2-7H2,1H3
InChIKeyRESVTUIUZFDBMV-UHFFFAOYSA-N
XLogP3.32
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(2-propylpyrazol-3-yl)methanol
CID 115798529
N-[(1-methylpyrazol-4-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]propan-1-amine
CID 43497220
(4-ethylphenyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol
CID 63426749
(6-methyl-3-pyridinyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
CID 115796780
phenyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
CID 15424085
2,3-dihydro-1H-inden-5-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
CID 61086856
(4-fluoro-3,5-dimethylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
CID 65296586
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-propan-2-ylphenyl)methanol
CID 61083152
4,5,6,7-tetrahydro-1-benzothiophen-2-yl-(2,4,6-trimethylphenyl)methanol
CID 63426285
(4-bromo-1-propylpyrazol-5-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanamine
CID 105041522
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(pyridin-3-yl)methanol
CID 114980045
(4-tert-butylphenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanol
CID 61086819

Frequently Asked Questions

What is the IUPAC name of (1-propylpyrazol-4-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol?
The IUPAC name of (1-propylpyrazol-4-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol (CID 114981600) is (1-propylpyrazol-4-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol.
What is the SMILES notation for (1-propylpyrazol-4-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol?
The canonical SMILES for (1-propylpyrazol-4-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol is CCCn1cc(C(O)c2cc3c(s2)CCCC3)cn1.
What is the InChIKey of (1-propylpyrazol-4-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol?
The InChIKey is RESVTUIUZFDBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-2-7-17-10-12(9-16-17)15(18)14-8-11-5-3-4-6-13(11)19-14/h8-10,15,18H,2-7H2,1H3.
What are the key properties of (1-propylpyrazol-4-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol?
(1-propylpyrazol-4-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol has a molecular weight of 276.41 g/mol, XLogP of 3.32, 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)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol is sourced from PubChem (CID 114981600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).