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

C11H13BrN2OS — CID 63974619

IUPAC(5-bromothiophen-2-yl)-(2-propylpyrazol-3-yl)methanol
SMILESCCCn1nccc1C(O)c1ccc(Br)s1
InChIInChI=1S/C11H13BrN2OS/c1-2-7-14-8(5-6-13-14)11(15)9-3-4-10(12)16-9/h3-6,11,15H,2,7H2,1H3
InChIKeyGOXGSLSZRYZTDS-UHFFFAOYSA-N
MW301.21 g/mol
LogP3.20
Rot. Bonds4

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

(5-bromothiophen-2-yl)-(2-propylpyrazol-3-yl)methanol (PubChem CID 63974619) has the molecular formula C11H13BrN2OS and a molecular weight of 301.21 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-(2-propylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-(2-propylpyrazol-3-yl)methanol
PubChem CID63974619
Molecular FormulaC11H13BrN2OS
Molecular Weight301.21 g/mol
Exact Mass299.99
IUPAC Name(5-bromothiophen-2-yl)-(2-propylpyrazol-3-yl)methanol
SMILESCCCn1nccc1C(O)c1ccc(Br)s1
InChIInChI=1S/C11H13BrN2OS/c1-2-7-14-8(5-6-13-14)11(15)9-3-4-10(12)16-9/h3-6,11,15H,2,7H2,1H3
InChIKeyGOXGSLSZRYZTDS-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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Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-(2-propylpyrazol-3-yl)methanol?
The IUPAC name of (5-bromothiophen-2-yl)-(2-propylpyrazol-3-yl)methanol (CID 63974619) is (5-bromothiophen-2-yl)-(2-propylpyrazol-3-yl)methanol.
What is the SMILES notation for (5-bromothiophen-2-yl)-(2-propylpyrazol-3-yl)methanol?
The canonical SMILES for (5-bromothiophen-2-yl)-(2-propylpyrazol-3-yl)methanol is CCCn1nccc1C(O)c1ccc(Br)s1.
What is the InChIKey of (5-bromothiophen-2-yl)-(2-propylpyrazol-3-yl)methanol?
The InChIKey is GOXGSLSZRYZTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2OS/c1-2-7-14-8(5-6-13-14)11(15)9-3-4-10(12)16-9/h3-6,11,15H,2,7H2,1H3.
What are the key properties of (5-bromothiophen-2-yl)-(2-propylpyrazol-3-yl)methanol?
(5-bromothiophen-2-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-2-yl)-(2-propylpyrazol-3-yl)methanol is sourced from PubChem (CID 63974619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).