(4-chloro-1-ethylpyrazol-5-yl)-(thiadiazol-5-yl)methanol

C8H9ClN4OS — CID 105127770

IUPAC(4-chloro-1-ethylpyrazol-5-yl)-(thiadiazol-5-yl)methanol
SMILESCCn1ncc(Cl)c1C(O)c1cnns1
InChIInChI=1S/C8H9ClN4OS/c1-2-13-7(5(9)3-11-13)8(14)6-4-10-12-15-6/h3-4,8,14H,2H2,1H3
InChIKeyBDUPMLYBUSHNBR-UHFFFAOYSA-N
MW244.71 g/mol
LogP1.49
Rot. Bonds3

About (4-chloro-1-ethylpyrazol-5-yl)-(thiadiazol-5-yl)methanol

(4-chloro-1-ethylpyrazol-5-yl)-(thiadiazol-5-yl)methanol (PubChem CID 105127770) has the molecular formula C8H9ClN4OS and a molecular weight of 244.71 g/mol. Its IUPAC name is (4-chloro-1-ethylpyrazol-5-yl)-(thiadiazol-5-yl)methanol.

Molecular Properties

Compound Name(4-chloro-1-ethylpyrazol-5-yl)-(thiadiazol-5-yl)methanol
PubChem CID105127770
Molecular FormulaC8H9ClN4OS
Molecular Weight244.71 g/mol
Exact Mass244.02
IUPAC Name(4-chloro-1-ethylpyrazol-5-yl)-(thiadiazol-5-yl)methanol
SMILESCCn1ncc(Cl)c1C(O)c1cnns1
InChIInChI=1S/C8H9ClN4OS/c1-2-13-7(5(9)3-11-13)8(14)6-4-10-12-15-6/h3-4,8,14H,2H2,1H3
InChIKeyBDUPMLYBUSHNBR-UHFFFAOYSA-N
XLogP1.49
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.71
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-chloro-1-ethylpyrazol-5-yl)-(1,3-thiazol-5-yl)methanol
CID 114638136
(4-chloro-1-ethylpyrazol-5-yl)-(4-methylthiadiazol-5-yl)methanol
CID 105127701
(4-chloro-1-ethylpyrazol-5-yl)-(1,3-thiazol-4-yl)methanol
CID 114638381
1-(4-chloro-1-ethylpyrazol-5-yl)-2-ethoxyethanol
CID 114644164
(4-chloro-1-ethylpyrazol-5-yl)-(3,5-dibromophenyl)methanol
CID 107978678
1-(4-chloro-1-ethylpyrazol-5-yl)-3,3-dimethylbutane-1,2-diol
CID 103457095
1-(4-chloro-1-ethylpyrazol-5-yl)-2-ethylbutane-1,2-diol
CID 103449247
(5-bromo-2-pyridinyl)-(4-chloro-1-ethylpyrazol-5-yl)methanol
CID 114638191
(4-chloro-1-ethylpyrazol-5-yl)-(2,3-dimethylphenyl)methanol
CID 114635051
(4-chloro-1-ethylpyrazol-5-yl)-(2,6-dimethyl-3-pyridinyl)methanol
CID 105127775
(4-chloro-1-ethylpyrazol-5-yl)-(3-iodophenyl)methanol
CID 115834841
1-(4-chloro-1-ethylpyrazol-5-yl)dodecan-1-ol
CID 115834843

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(thiadiazol-5-yl)methanol?
The IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(thiadiazol-5-yl)methanol (CID 105127770) is (4-chloro-1-ethylpyrazol-5-yl)-(thiadiazol-5-yl)methanol.
What is the SMILES notation for (4-chloro-1-ethylpyrazol-5-yl)-(thiadiazol-5-yl)methanol?
The canonical SMILES for (4-chloro-1-ethylpyrazol-5-yl)-(thiadiazol-5-yl)methanol is CCn1ncc(Cl)c1C(O)c1cnns1.
What is the InChIKey of (4-chloro-1-ethylpyrazol-5-yl)-(thiadiazol-5-yl)methanol?
The InChIKey is BDUPMLYBUSHNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN4OS/c1-2-13-7(5(9)3-11-13)8(14)6-4-10-12-15-6/h3-4,8,14H,2H2,1H3.
What are the key properties of (4-chloro-1-ethylpyrazol-5-yl)-(thiadiazol-5-yl)methanol?
(4-chloro-1-ethylpyrazol-5-yl)-(thiadiazol-5-yl)methanol has a molecular weight of 244.71 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-ethylpyrazol-5-yl)-(thiadiazol-5-yl)methanol is sourced from PubChem (CID 105127770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).