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

C10H11ClN2OS — CID 103408000

IUPAC(3-chloro-4-methylthiophen-2-yl)-(2-methylpyrazol-3-yl)methanol
SMILESCc1csc(C(O)c2ccnn2C)c1Cl
InChIInChI=1S/C10H11ClN2OS/c1-6-5-15-10(8(6)11)9(14)7-3-4-12-13(7)2/h3-5,9,14H,1-2H3
InChIKeyOQFYVTSUVUZLSM-UHFFFAOYSA-N
MW242.73 g/mol
LogP2.53
Rot. Bonds2

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

(3-chloro-4-methylthiophen-2-yl)-(2-methylpyrazol-3-yl)methanol (PubChem CID 103408000) has the molecular formula C10H11ClN2OS and a molecular weight of 242.73 g/mol. Its IUPAC name is (3-chloro-4-methylthiophen-2-yl)-(2-methylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(3-chloro-4-methylthiophen-2-yl)-(2-methylpyrazol-3-yl)methanol
PubChem CID103408000
Molecular FormulaC10H11ClN2OS
Molecular Weight242.73 g/mol
Exact Mass242.03
IUPAC Name(3-chloro-4-methylthiophen-2-yl)-(2-methylpyrazol-3-yl)methanol
SMILESCc1csc(C(O)c2ccnn2C)c1Cl
InChIInChI=1S/C10H11ClN2OS/c1-6-5-15-10(8(6)11)9(14)7-3-4-12-13(7)2/h3-5,9,14H,1-2H3
InChIKeyOQFYVTSUVUZLSM-UHFFFAOYSA-N
XLogP2.53
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.73
LogP ≤ 52.53
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
(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)(2-thienyl)methanol
CID 79018218
(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
(2,5-Dimethylpyrazol-3-yl)-[4-(trifluoromethyl)thiophen-3-yl]methanol
CID 112745726
(5-Fluoro-1-benzothiophen-2-yl)-(2-methylpyrazol-3-yl)methanol
CID 113680407
(4-Chloro-1-ethylpyrazol-5-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol
CID 114635096
(4-Chloro-1-methylpyrazol-5-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol
CID 114635100

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylthiophen-2-yl)-(2-methylpyrazol-3-yl)methanol?
The IUPAC name of (3-chloro-4-methylthiophen-2-yl)-(2-methylpyrazol-3-yl)methanol (CID 103408000) is (3-chloro-4-methylthiophen-2-yl)-(2-methylpyrazol-3-yl)methanol.
What is the SMILES notation for (3-chloro-4-methylthiophen-2-yl)-(2-methylpyrazol-3-yl)methanol?
The canonical SMILES for (3-chloro-4-methylthiophen-2-yl)-(2-methylpyrazol-3-yl)methanol is Cc1csc(C(O)c2ccnn2C)c1Cl.
What is the InChIKey of (3-chloro-4-methylthiophen-2-yl)-(2-methylpyrazol-3-yl)methanol?
The InChIKey is OQFYVTSUVUZLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2OS/c1-6-5-15-10(8(6)11)9(14)7-3-4-12-13(7)2/h3-5,9,14H,1-2H3.
What are the key properties of (3-chloro-4-methylthiophen-2-yl)-(2-methylpyrazol-3-yl)methanol?
(3-chloro-4-methylthiophen-2-yl)-(2-methylpyrazol-3-yl)methanol has a molecular weight of 242.73 g/mol, XLogP of 2.53, 2 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-methylpyrazol-3-yl)methanol is sourced from PubChem (CID 103408000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).