(5-chloro-1,3-dimethylpyrazol-4-yl)-thiophen-2-ylmethanol

C10H11ClN2OS — CID 79018218

IUPAC(5-chloro-1,3-dimethylpyrazol-4-yl)-thiophen-2-ylmethanol
SMILESCc1nn(C)c(Cl)c1C(O)c1cccs1
InChIInChI=1S/C10H11ClN2OS/c1-6-8(10(11)13(2)12-6)9(14)7-4-3-5-15-7/h3-5,9,14H,1-2H3
InChIKeyRZHKWYBMOSTAQU-UHFFFAOYSA-N
MW242.73 g/mol
LogP2.53
Rot. Bonds2

About (5-chloro-1,3-dimethylpyrazol-4-yl)-thiophen-2-ylmethanol

(5-chloro-1,3-dimethylpyrazol-4-yl)-thiophen-2-ylmethanol (PubChem CID 79018218) has the molecular formula C10H11ClN2OS and a molecular weight of 242.73 g/mol. Its IUPAC name is (5-chloro-1,3-dimethylpyrazol-4-yl)-thiophen-2-ylmethanol.

Molecular Properties

Compound Name(5-chloro-1,3-dimethylpyrazol-4-yl)-thiophen-2-ylmethanol
PubChem CID79018218
Molecular FormulaC10H11ClN2OS
Molecular Weight242.73 g/mol
Exact Mass242.03
IUPAC Name(5-chloro-1,3-dimethylpyrazol-4-yl)-thiophen-2-ylmethanol
SMILESCc1nn(C)c(Cl)c1C(O)c1cccs1
InChIInChI=1S/C10H11ClN2OS/c1-6-8(10(11)13(2)12-6)9(14)7-4-3-5-15-7/h3-5,9,14H,1-2H3
InChIKeyRZHKWYBMOSTAQU-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
[5-(3,5-Dichlorophenyl)sulfanyl-1-isopropyl-4-(2-thienylmethyl)pyrazol-3-yl]methanol
CID 514449
(1,5-dimethyl-1H-pyrazol-3-yl)(thiophen-3-yl)methanol
CID 121553669
(3R,4S)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-(3-methylthiophen-2-yl)piperidin-3-ol
CID 164637186
Cyclohexyl-[5-[1,4-dimethyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol
CID 58955830
(5-Chloro-1,3-dimethylpyrazol-4-yl)-phenylmethanol
CID 79020517
2-(4-Chloro-1,3-dimethylpyrazol-5-yl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol
CID 105106537
2-(5-Chloro-1,3-dimethylpyrazol-4-yl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol
CID 105125377
2-(4-Chloro-1,3-dimethylpyrazol-5-yl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanol
CID 115811758
2-(5-Chloro-1,3-dimethylpyrazol-4-yl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanol
CID 115832371
1-(5-Chloro-1,3-dimethylpyrazol-4-yl)-3-(2-fluorophenyl)sulfanylpropan-2-ol
CID 116068333

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1,3-dimethylpyrazol-4-yl)-thiophen-2-ylmethanol?
The IUPAC name of (5-chloro-1,3-dimethylpyrazol-4-yl)-thiophen-2-ylmethanol (CID 79018218) is (5-chloro-1,3-dimethylpyrazol-4-yl)-thiophen-2-ylmethanol.
What is the SMILES notation for (5-chloro-1,3-dimethylpyrazol-4-yl)-thiophen-2-ylmethanol?
The canonical SMILES for (5-chloro-1,3-dimethylpyrazol-4-yl)-thiophen-2-ylmethanol is Cc1nn(C)c(Cl)c1C(O)c1cccs1.
What is the InChIKey of (5-chloro-1,3-dimethylpyrazol-4-yl)-thiophen-2-ylmethanol?
The InChIKey is RZHKWYBMOSTAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2OS/c1-6-8(10(11)13(2)12-6)9(14)7-4-3-5-15-7/h3-5,9,14H,1-2H3.
What are the key properties of (5-chloro-1,3-dimethylpyrazol-4-yl)-thiophen-2-ylmethanol?
(5-chloro-1,3-dimethylpyrazol-4-yl)-thiophen-2-ylmethanol 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 (5-chloro-1,3-dimethylpyrazol-4-yl)-thiophen-2-ylmethanol is sourced from PubChem (CID 79018218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).