3-(1H-pyrazol-4-ylmethylsulfanyl)naphthalen-1-ol

C14H12N2OS — CID 162518930

IUPAC3-(1H-pyrazol-4-ylmethylsulfanyl)naphthalen-1-ol
SMILESOc1cc(SCc2cn[nH]c2)cc2ccccc12
InChIInChI=1S/C14H12N2OS/c17-14-6-12(18-9-10-7-15-16-8-10)5-11-3-1-2-4-13(11)14/h1-8,17H,9H2,(H,15,16)
InChIKeyGHMADJGVGLNPFW-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.56
Rot. Bonds3

About 3-(1H-pyrazol-4-ylmethylsulfanyl)naphthalen-1-ol

3-(1H-pyrazol-4-ylmethylsulfanyl)naphthalen-1-ol (PubChem CID 162518930) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is 3-(1H-pyrazol-4-ylmethylsulfanyl)naphthalen-1-ol.

Molecular Properties

Compound Name3-(1H-pyrazol-4-ylmethylsulfanyl)naphthalen-1-ol
PubChem CID162518930
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC Name3-(1H-pyrazol-4-ylmethylsulfanyl)naphthalen-1-ol
SMILESOc1cc(SCc2cn[nH]c2)cc2ccccc12
InChIInChI=1S/C14H12N2OS/c17-14-6-12(18-9-10-7-15-16-8-10)5-11-3-1-2-4-13(11)14/h1-8,17H,9H2,(H,15,16)
InChIKeyGHMADJGVGLNPFW-UHFFFAOYSA-N
XLogP3.56
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1H-pyrazol-4-ylmethylsulfanyl)aniline
CID 130569371
4-[(4-bromophenyl)sulfanylmethyl]-1H-pyrazole
CID 99800763
1H-pyrazol-4-ylmethyl N-naphthalen-1-ylcarbamate
CID 3087672
N-(1H-pyrazol-4-ylmethyl)naphthalen-2-amine
CID 62022596
1H-pyrazol-4-ylmethanol
CID 3015210
2-[methyl-[2-(1H-pyrazol-4-yl)ethyl]amino]quinoline-4-carboxylic acid
CID 50806130
3-chloronaphthalen-1-ol
CID 23423080
3-hydroxy-2-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 82829412
3-(difluoromethyl)naphthalen-1-ol
CID 118820473
naphthalene;naphthalen-1-ol
CID 174561564
N-methyl-N-(1H-pyrazol-4-ylmethyl)naphthalene-1-sulfonamide
CID 114795551
(4-hydroxynaphthalen-2-yl)methyl acetate
CID 150198029

Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrazol-4-ylmethylsulfanyl)naphthalen-1-ol?
The IUPAC name of 3-(1H-pyrazol-4-ylmethylsulfanyl)naphthalen-1-ol (CID 162518930) is 3-(1H-pyrazol-4-ylmethylsulfanyl)naphthalen-1-ol.
What is the SMILES notation for 3-(1H-pyrazol-4-ylmethylsulfanyl)naphthalen-1-ol?
The canonical SMILES for 3-(1H-pyrazol-4-ylmethylsulfanyl)naphthalen-1-ol is Oc1cc(SCc2cn[nH]c2)cc2ccccc12.
What is the InChIKey of 3-(1H-pyrazol-4-ylmethylsulfanyl)naphthalen-1-ol?
The InChIKey is GHMADJGVGLNPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c17-14-6-12(18-9-10-7-15-16-8-10)5-11-3-1-2-4-13(11)14/h1-8,17H,9H2,(H,15,16).
What are the key properties of 3-(1H-pyrazol-4-ylmethylsulfanyl)naphthalen-1-ol?
3-(1H-pyrazol-4-ylmethylsulfanyl)naphthalen-1-ol has a molecular weight of 256.33 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrazol-4-ylmethylsulfanyl)naphthalen-1-ol is sourced from PubChem (CID 162518930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).