(4-chloro-1-propylpyrazol-5-yl)-(1,3-thiazol-2-yl)methanol

C10H12ClN3OS — CID 114638157

IUPAC(4-chloro-1-propylpyrazol-5-yl)-(1,3-thiazol-2-yl)methanol
SMILESCCCn1ncc(Cl)c1C(O)c1nccs1
InChIInChI=1S/C10H12ClN3OS/c1-2-4-14-8(7(11)6-13-14)9(15)10-12-3-5-16-10/h3,5-6,9,15H,2,4H2,1H3
InChIKeyMUTNTXOBUQHEEL-UHFFFAOYSA-N
MW257.75 g/mol
LogP2.48
Rot. Bonds4

About (4-chloro-1-propylpyrazol-5-yl)-(1,3-thiazol-2-yl)methanol

(4-chloro-1-propylpyrazol-5-yl)-(1,3-thiazol-2-yl)methanol (PubChem CID 114638157) has the molecular formula C10H12ClN3OS and a molecular weight of 257.75 g/mol. Its IUPAC name is (4-chloro-1-propylpyrazol-5-yl)-(1,3-thiazol-2-yl)methanol.

Molecular Properties

Compound Name(4-chloro-1-propylpyrazol-5-yl)-(1,3-thiazol-2-yl)methanol
PubChem CID114638157
Molecular FormulaC10H12ClN3OS
Molecular Weight257.75 g/mol
Exact Mass257.04
IUPAC Name(4-chloro-1-propylpyrazol-5-yl)-(1,3-thiazol-2-yl)methanol
SMILESCCCn1ncc(Cl)c1C(O)c1nccs1
InChIInChI=1S/C10H12ClN3OS/c1-2-4-14-8(7(11)6-13-14)9(15)10-12-3-5-16-10/h3,5-6,9,15H,2,4H2,1H3
InChIKeyMUTNTXOBUQHEEL-UHFFFAOYSA-N
XLogP2.48
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.75
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methoxy-1-propylpyrazol-5-yl)-(1,3-thiazol-2-yl)methanol
CID 114638165
(3-bromothiophen-2-yl)-(4-chloro-1-propylpyrazol-5-yl)methanol
CID 114637483
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(1,3-thiazol-2-yl)methanol
CID 114638156
(4-chloro-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethanol
CID 114635773
(4-chloro-1-propylpyrazol-5-yl)-(3,5-dichlorophenyl)methanol
CID 114635404
1-(4-chloro-1-propylpyrazol-5-yl)propane-1,2-diol
CID 103452617
(4-chloro-1-propylpyrazol-5-yl)-(3,4-dimethylphenyl)methanol
CID 114635071
1-(4-chloro-1-propylpyrazol-5-yl)-2,2-dimethylbutan-1-ol
CID 115835624
(4-chloro-1-propylpyrazol-5-yl)-(1-ethylpyrazol-4-yl)methanol
CID 114636989
(4-chloro-1-propylpyrazol-5-yl)-(5-fluoro-2-pyridinyl)methanol
CID 114644772
(4-chloro-1-propylpyrazol-5-yl)-(4-ethoxyphenyl)methanol
CID 114634063
(4-chloro-1-propylpyrazol-5-yl)-(2,6-difluorophenyl)methanol
CID 114634802

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-propylpyrazol-5-yl)-(1,3-thiazol-2-yl)methanol?
The IUPAC name of (4-chloro-1-propylpyrazol-5-yl)-(1,3-thiazol-2-yl)methanol (CID 114638157) is (4-chloro-1-propylpyrazol-5-yl)-(1,3-thiazol-2-yl)methanol.
What is the SMILES notation for (4-chloro-1-propylpyrazol-5-yl)-(1,3-thiazol-2-yl)methanol?
The canonical SMILES for (4-chloro-1-propylpyrazol-5-yl)-(1,3-thiazol-2-yl)methanol is CCCn1ncc(Cl)c1C(O)c1nccs1.
What is the InChIKey of (4-chloro-1-propylpyrazol-5-yl)-(1,3-thiazol-2-yl)methanol?
The InChIKey is MUTNTXOBUQHEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3OS/c1-2-4-14-8(7(11)6-13-14)9(15)10-12-3-5-16-10/h3,5-6,9,15H,2,4H2,1H3.
What are the key properties of (4-chloro-1-propylpyrazol-5-yl)-(1,3-thiazol-2-yl)methanol?
(4-chloro-1-propylpyrazol-5-yl)-(1,3-thiazol-2-yl)methanol has a molecular weight of 257.75 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-propylpyrazol-5-yl)-(1,3-thiazol-2-yl)methanol is sourced from PubChem (CID 114638157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).