(3-chloro-4-methylthiophen-2-yl)-(2-ethylpyrazol-3-yl)methanol

C11H13ClN2OS — CID 103407999

IUPAC(3-chloro-4-methylthiophen-2-yl)-(2-ethylpyrazol-3-yl)methanol
SMILESCCn1nccc1C(O)c1scc(C)c1Cl
InChIInChI=1S/C11H13ClN2OS/c1-3-14-8(4-5-13-14)10(15)11-9(12)7(2)6-16-11/h4-6,10,15H,3H2,1-2H3
InChIKeyUGSGSIYQYFUYCS-UHFFFAOYSA-N
MW256.76 g/mol
LogP3.01
Rot. Bonds3

About (3-chloro-4-methylthiophen-2-yl)-(2-ethylpyrazol-3-yl)methanol

(3-chloro-4-methylthiophen-2-yl)-(2-ethylpyrazol-3-yl)methanol (PubChem CID 103407999) has the molecular formula C11H13ClN2OS and a molecular weight of 256.76 g/mol. Its IUPAC name is (3-chloro-4-methylthiophen-2-yl)-(2-ethylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(3-chloro-4-methylthiophen-2-yl)-(2-ethylpyrazol-3-yl)methanol
PubChem CID103407999
Molecular FormulaC11H13ClN2OS
Molecular Weight256.76 g/mol
Exact Mass256.04
IUPAC Name(3-chloro-4-methylthiophen-2-yl)-(2-ethylpyrazol-3-yl)methanol
SMILESCCn1nccc1C(O)c1scc(C)c1Cl
InChIInChI=1S/C11H13ClN2OS/c1-3-14-8(4-5-13-14)10(15)11-9(12)7(2)6-16-11/h4-6,10,15H,3H2,1-2H3
InChIKeyUGSGSIYQYFUYCS-UHFFFAOYSA-N
XLogP3.01
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.76
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-{[3-(3-chlorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-4-piperidinyl)(2-thienyl)methanol
CID 16191395
1-(1-Methyl-3-thiophen-3-ylpyrazol-5-yl)ethane-1,2-diol
CID 155559694
(1,5-dimethyl-1H-pyrazol-3-yl)(thiophen-3-yl)methanol
CID 121553669
N-[(4-chloro-2-fluorophenyl)methyl]-N-methyl-2-[(2-methylpyrazol-3-yl)-thiophen-2-ylmethoxy]ethanamine
CID 121429610
(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)(2-thienyl)methanol
CID 79018218
(5-Fluoro-1-benzothiophen-2-yl)-(2-propylpyrazol-3-yl)methanol
CID 105098016
(2-Ethylpyrazol-3-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol
CID 105098161
(4-Chloro-1-ethylpyrazol-5-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol
CID 105127742
(4-Chloro-1-propan-2-ylpyrazol-5-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol
CID 105128234
(4-Chloro-1-propylpyrazol-5-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol
CID 105128483
(4-Chloro-1-methylpyrazol-5-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol
CID 105129753
(4-Chloro-1-ethylpyrazol-5-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol
CID 114635096

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylthiophen-2-yl)-(2-ethylpyrazol-3-yl)methanol?
The IUPAC name of (3-chloro-4-methylthiophen-2-yl)-(2-ethylpyrazol-3-yl)methanol (CID 103407999) is (3-chloro-4-methylthiophen-2-yl)-(2-ethylpyrazol-3-yl)methanol.
What is the SMILES notation for (3-chloro-4-methylthiophen-2-yl)-(2-ethylpyrazol-3-yl)methanol?
The canonical SMILES for (3-chloro-4-methylthiophen-2-yl)-(2-ethylpyrazol-3-yl)methanol is CCn1nccc1C(O)c1scc(C)c1Cl.
What is the InChIKey of (3-chloro-4-methylthiophen-2-yl)-(2-ethylpyrazol-3-yl)methanol?
The InChIKey is UGSGSIYQYFUYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2OS/c1-3-14-8(4-5-13-14)10(15)11-9(12)7(2)6-16-11/h4-6,10,15H,3H2,1-2H3.
What are the key properties of (3-chloro-4-methylthiophen-2-yl)-(2-ethylpyrazol-3-yl)methanol?
(3-chloro-4-methylthiophen-2-yl)-(2-ethylpyrazol-3-yl)methanol has a molecular weight of 256.76 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylthiophen-2-yl)-(2-ethylpyrazol-3-yl)methanol is sourced from PubChem (CID 103407999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).