(5-bromothiophen-3-yl)-(2-propylpyrazol-3-yl)methanol

C11H13BrN2OS — CID 105097957

IUPAC(5-bromothiophen-3-yl)-(2-propylpyrazol-3-yl)methanol
SMILESCCCn1nccc1C(O)c1csc(Br)c1
InChIInChI=1S/C11H13BrN2OS/c1-2-5-14-9(3-4-13-14)11(15)8-6-10(12)16-7-8/h3-4,6-7,11,15H,2,5H2,1H3
InChIKeySEMOJFCMBVXEKB-UHFFFAOYSA-N
MW301.21 g/mol
LogP3.20
Rot. Bonds4

About (5-bromothiophen-3-yl)-(2-propylpyrazol-3-yl)methanol

(5-bromothiophen-3-yl)-(2-propylpyrazol-3-yl)methanol (PubChem CID 105097957) has the molecular formula C11H13BrN2OS and a molecular weight of 301.21 g/mol. Its IUPAC name is (5-bromothiophen-3-yl)-(2-propylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(5-bromothiophen-3-yl)-(2-propylpyrazol-3-yl)methanol
PubChem CID105097957
Molecular FormulaC11H13BrN2OS
Molecular Weight301.21 g/mol
Exact Mass299.99
IUPAC Name(5-bromothiophen-3-yl)-(2-propylpyrazol-3-yl)methanol
SMILESCCCn1nccc1C(O)c1csc(Br)c1
InChIInChI=1S/C11H13BrN2OS/c1-2-5-14-9(3-4-13-14)11(15)8-6-10(12)16-7-8/h3-4,6-7,11,15H,2,5H2,1H3
InChIKeySEMOJFCMBVXEKB-UHFFFAOYSA-N
XLogP3.20
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.21
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1,5-dimethyl-1H-pyrazol-3-yl)(thiophen-3-yl)methanol
CID 121553669
N,N-dimethyl-2-[(2-methylpyrazol-3-yl)-thiophen-3-ylmethoxy]ethanamine
CID 9795298
(2-methyl-2H-pyrazole-3-yl)-thiophene-2-yl-methanol
CID 11528509
(4-Bromothiophen-2-yl)-(2-methylpyrazol-3-yl)methanol
CID 11536370
1-(2-Methylpyrazol-3-yl)-1-thiophen-2-ylethanol
CID 11557532
(5-Bromothiophen-2-yl)-(2-methylpyrazol-3-yl)methanol
CID 11587150
(1-Methyl-1H-pyrazol-5-yl)(3-methylthiophen-2-yl)methanol
CID 11600915
(2-Methylpyrazol-3-yl)-(5-methylthiophen-2-yl)methanol
CID 21909082
(R)-(2-methylpyrazol-3-yl)-thiophen-2-ylmethanol
CID 29939245
(S)-(2-methylpyrazol-3-yl)-thiophen-2-ylmethanol
CID 29939249
(2-Methylpyrazol-3-yl)-thiophen-3-ylmethanol
CID 63963692
[3-(2-Methylpyrazol-3-yl)thiophen-2-yl]methanol
CID 69369524

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-3-yl)-(2-propylpyrazol-3-yl)methanol?
The IUPAC name of (5-bromothiophen-3-yl)-(2-propylpyrazol-3-yl)methanol (CID 105097957) is (5-bromothiophen-3-yl)-(2-propylpyrazol-3-yl)methanol.
What is the SMILES notation for (5-bromothiophen-3-yl)-(2-propylpyrazol-3-yl)methanol?
The canonical SMILES for (5-bromothiophen-3-yl)-(2-propylpyrazol-3-yl)methanol is CCCn1nccc1C(O)c1csc(Br)c1.
What is the InChIKey of (5-bromothiophen-3-yl)-(2-propylpyrazol-3-yl)methanol?
The InChIKey is SEMOJFCMBVXEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2OS/c1-2-5-14-9(3-4-13-14)11(15)8-6-10(12)16-7-8/h3-4,6-7,11,15H,2,5H2,1H3.
What are the key properties of (5-bromothiophen-3-yl)-(2-propylpyrazol-3-yl)methanol?
(5-bromothiophen-3-yl)-(2-propylpyrazol-3-yl)methanol has a molecular weight of 301.21 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-3-yl)-(2-propylpyrazol-3-yl)methanol is sourced from PubChem (CID 105097957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).