(2-chlorothiophen-3-yl)-(1H-pyrazol-4-yl)methanol

C8H7ClN2OS — CID 131027728

IUPAC(2-chlorothiophen-3-yl)-(1H-pyrazol-4-yl)methanol
SMILESOC(c1cn[nH]c1)c1ccsc1Cl
InChIInChI=1S/C8H7ClN2OS/c9-8-6(1-2-13-8)7(12)5-3-10-11-4-5/h1-4,7,12H,(H,10,11)
InChIKeyKSOAGYWRGDCFRU-UHFFFAOYSA-N
MW214.68 g/mol
LogP2.21
Rot. Bonds2

About (2-chlorothiophen-3-yl)-(1H-pyrazol-4-yl)methanol

(2-chlorothiophen-3-yl)-(1H-pyrazol-4-yl)methanol (PubChem CID 131027728) has the molecular formula C8H7ClN2OS and a molecular weight of 214.68 g/mol. Its IUPAC name is (2-chlorothiophen-3-yl)-(1H-pyrazol-4-yl)methanol.

Molecular Properties

Compound Name(2-chlorothiophen-3-yl)-(1H-pyrazol-4-yl)methanol
PubChem CID131027728
Molecular FormulaC8H7ClN2OS
Molecular Weight214.68 g/mol
Exact Mass214.00
IUPAC Name(2-chlorothiophen-3-yl)-(1H-pyrazol-4-yl)methanol
SMILESOC(c1cn[nH]c1)c1ccsc1Cl
InChIInChI=1S/C8H7ClN2OS/c9-8-6(1-2-13-8)7(12)5-3-10-11-4-5/h1-4,7,12H,(H,10,11)
InChIKeyKSOAGYWRGDCFRU-UHFFFAOYSA-N
XLogP2.21
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.68
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methylthiophen-2-yl)-(1H-pyrazol-4-yl)methanol
CID 114988226
(5-bromofuran-3-yl)-(2-chlorothiophen-3-yl)methanol
CID 130654931
3-(2-chlorothiophen-3-yl)butan-2-ol
CID 130632241
(3-methylthiophen-2-yl)-(1H-pyrazol-4-yl)methanamine
CID 82236060
2,2-difluoro-1-(1H-pyrazol-4-yl)ethanol
CID 165473044
2-amino-1-(2-chlorothiophen-3-yl)-2-methylpropan-1-ol
CID 126997882
2,2-dimethyl-1-(1H-pyrazol-4-yl)propan-1-ol
CID 130573210
2,3-dihydro-1,4-benzodioxin-6-yl(1H-pyrazol-4-yl)methanol
CID 114993447
N-methyl-1-(3-methylthiophen-2-yl)-1-(1H-pyrazol-4-yl)methanamine
CID 82237954
2-(5-chlorothiophen-2-yl)-1-(1H-pyrazol-4-yl)ethanamine
CID 130573212
(2-methyltetrazol-5-yl)-(1H-pyrazol-4-yl)methanol
CID 130930410
3-(2-chlorothiophen-3-yl)-2,3-dihydroxypropanamide
CID 171867560

Frequently Asked Questions

What is the IUPAC name of (2-chlorothiophen-3-yl)-(1H-pyrazol-4-yl)methanol?
The IUPAC name of (2-chlorothiophen-3-yl)-(1H-pyrazol-4-yl)methanol (CID 131027728) is (2-chlorothiophen-3-yl)-(1H-pyrazol-4-yl)methanol.
What is the SMILES notation for (2-chlorothiophen-3-yl)-(1H-pyrazol-4-yl)methanol?
The canonical SMILES for (2-chlorothiophen-3-yl)-(1H-pyrazol-4-yl)methanol is OC(c1cn[nH]c1)c1ccsc1Cl.
What is the InChIKey of (2-chlorothiophen-3-yl)-(1H-pyrazol-4-yl)methanol?
The InChIKey is KSOAGYWRGDCFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2OS/c9-8-6(1-2-13-8)7(12)5-3-10-11-4-5/h1-4,7,12H,(H,10,11).
What are the key properties of (2-chlorothiophen-3-yl)-(1H-pyrazol-4-yl)methanol?
(2-chlorothiophen-3-yl)-(1H-pyrazol-4-yl)methanol has a molecular weight of 214.68 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorothiophen-3-yl)-(1H-pyrazol-4-yl)methanol is sourced from PubChem (CID 131027728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).