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

C9H10ClN3OS — CID 114638136

IUPAC(4-chloro-1-ethylpyrazol-5-yl)-(1,3-thiazol-5-yl)methanol
SMILESCCn1ncc(Cl)c1C(O)c1cncs1
InChIInChI=1S/C9H10ClN3OS/c1-2-13-8(6(10)3-12-13)9(14)7-4-11-5-15-7/h3-5,9,14H,2H2,1H3
InChIKeyAZTFEZDMTALDBS-UHFFFAOYSA-N
MW243.72 g/mol
LogP2.09
Rot. Bonds3

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

(4-chloro-1-ethylpyrazol-5-yl)-(1,3-thiazol-5-yl)methanol (PubChem CID 114638136) has the molecular formula C9H10ClN3OS and a molecular weight of 243.72 g/mol. Its IUPAC name is (4-chloro-1-ethylpyrazol-5-yl)-(1,3-thiazol-5-yl)methanol.

Molecular Properties

Compound Name(4-chloro-1-ethylpyrazol-5-yl)-(1,3-thiazol-5-yl)methanol
PubChem CID114638136
Molecular FormulaC9H10ClN3OS
Molecular Weight243.72 g/mol
Exact Mass243.02
IUPAC Name(4-chloro-1-ethylpyrazol-5-yl)-(1,3-thiazol-5-yl)methanol
SMILESCCn1ncc(Cl)c1C(O)c1cncs1
InChIInChI=1S/C9H10ClN3OS/c1-2-13-8(6(10)3-12-13)9(14)7-4-11-5-15-7/h3-5,9,14H,2H2,1H3
InChIKeyAZTFEZDMTALDBS-UHFFFAOYSA-N
XLogP2.09
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.72
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-chloro-1-ethylpyrazol-5-yl)-(thiadiazol-5-yl)methanol
CID 105127770
(4-chloro-1-ethylpyrazol-5-yl)-(1,3-thiazol-4-yl)methanol
CID 114638381
(4-chloro-1-ethylpyrazol-5-yl)-(4-methylthiadiazol-5-yl)methanol
CID 105127701
1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-1-(1,3-thiazol-5-yl)methanamine
CID 114658603
1-(4-chloro-1-ethylpyrazol-5-yl)-2-ethoxyethanol
CID 114644164
(4-chloro-1-ethylpyrazol-5-yl)-(3,5-dibromophenyl)methanol
CID 107978678
N-[(4-chloro-1-propylpyrazol-5-yl)-(1,3-thiazol-5-yl)methyl]propan-1-amine
CID 114658631
1-(4-chloro-1-ethylpyrazol-5-yl)-2-ethylbutane-1,2-diol
CID 103449247
1-(4-chloro-1-ethylpyrazol-5-yl)-3,3-dimethylbutane-1,2-diol
CID 103457095
(4-chloro-1-ethylpyrazol-5-yl)-(2,3-dimethylphenyl)methanol
CID 114635051
(5-bromo-2-pyridinyl)-(4-chloro-1-ethylpyrazol-5-yl)methanol
CID 114638191
(4-chloro-1-ethylpyrazol-5-yl)-(2,6-dimethyl-3-pyridinyl)methanol
CID 105127775

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(1,3-thiazol-5-yl)methanol?
The IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(1,3-thiazol-5-yl)methanol (CID 114638136) is (4-chloro-1-ethylpyrazol-5-yl)-(1,3-thiazol-5-yl)methanol.
What is the SMILES notation for (4-chloro-1-ethylpyrazol-5-yl)-(1,3-thiazol-5-yl)methanol?
The canonical SMILES for (4-chloro-1-ethylpyrazol-5-yl)-(1,3-thiazol-5-yl)methanol is CCn1ncc(Cl)c1C(O)c1cncs1.
What is the InChIKey of (4-chloro-1-ethylpyrazol-5-yl)-(1,3-thiazol-5-yl)methanol?
The InChIKey is AZTFEZDMTALDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3OS/c1-2-13-8(6(10)3-12-13)9(14)7-4-11-5-15-7/h3-5,9,14H,2H2,1H3.
What are the key properties of (4-chloro-1-ethylpyrazol-5-yl)-(1,3-thiazol-5-yl)methanol?
(4-chloro-1-ethylpyrazol-5-yl)-(1,3-thiazol-5-yl)methanol has a molecular weight of 243.72 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-ethylpyrazol-5-yl)-(1,3-thiazol-5-yl)methanol is sourced from PubChem (CID 114638136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).