3-naphthalen-2-yl-5-thiophen-2-yl-1H-pyrazole

C17H12N2S — CID 122400627

IUPAC3-naphthalen-2-yl-5-thiophen-2-yl-1H-pyrazole
SMILESc1csc(-c2cc(-c3ccc4ccccc4c3)n[nH]2)c1
InChIInChI=1S/C17H12N2S/c1-2-5-13-10-14(8-7-12(13)4-1)15-11-16(19-18-15)17-6-3-9-20-17/h1-11H,(H,18,19)
InChIKeyMBWFWNQWFQNYPY-UHFFFAOYSA-N
MW276.36 g/mol
LogP4.96
Rot. Bonds2

About 3-naphthalen-2-yl-5-thiophen-2-yl-1H-pyrazole

3-naphthalen-2-yl-5-thiophen-2-yl-1H-pyrazole (PubChem CID 122400627) has the molecular formula C17H12N2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 3-naphthalen-2-yl-5-thiophen-2-yl-1H-pyrazole.

Molecular Properties

Compound Name3-naphthalen-2-yl-5-thiophen-2-yl-1H-pyrazole
PubChem CID122400627
Molecular FormulaC17H12N2S
Molecular Weight276.36 g/mol
Exact Mass276.07
IUPAC Name3-naphthalen-2-yl-5-thiophen-2-yl-1H-pyrazole
SMILESc1csc(-c2cc(-c3ccc4ccccc4c3)n[nH]2)c1
InChIInChI=1S/C17H12N2S/c1-2-5-13-10-14(8-7-12(13)4-1)15-11-16(19-18-15)17-6-3-9-20-17/h1-11H,(H,18,19)
InChIKeyMBWFWNQWFQNYPY-UHFFFAOYSA-N
XLogP4.96
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methoxyphenyl)-5-thiophen-2-yl-1H-pyrazole
CID 18175413
3-naphthalen-2-yl-5-thiophen-2-yl-1,2-oxazole
CID 102512631
2-(7-thiophen-2-ylnaphthalen-2-yl)thiophene
CID 824515
2-(9,10-dinaphthalen-2-yl-6-thiophen-2-ylanthracen-2-yl)thiophene
CID 59342673
5-(3-naphthalen-2-yl-1H-pyrazol-5-yl)-3-phenyl-1,2,4-oxadiazole
CID 20941125
3-naphthalen-2-yl-2H-thieno[2,3-c]pyrazole
CID 59796953
5-naphthalen-2-yl-1-benzothiophene
CID 101067943
3-ethyl-5-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
CID 94069244
4-(3,4-dimethylphenyl)-6-thiophen-2-yl-1H-pyrimidin-2-one
CID 139229492
6-thiophen-2-ylnaphthalen-2-ol
CID 10878866
2-(20-thiophen-2-yl-7-hexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaenyl)thiophene
CID 58411506
2-thiophen-2-yl-5-[6-(5-thiophen-2-ylthiophen-2-yl)anthracen-2-yl]thiophene
CID 23596942

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-yl-5-thiophen-2-yl-1H-pyrazole?
The IUPAC name of 3-naphthalen-2-yl-5-thiophen-2-yl-1H-pyrazole (CID 122400627) is 3-naphthalen-2-yl-5-thiophen-2-yl-1H-pyrazole.
What is the SMILES notation for 3-naphthalen-2-yl-5-thiophen-2-yl-1H-pyrazole?
The canonical SMILES for 3-naphthalen-2-yl-5-thiophen-2-yl-1H-pyrazole is c1csc(-c2cc(-c3ccc4ccccc4c3)n[nH]2)c1.
What is the InChIKey of 3-naphthalen-2-yl-5-thiophen-2-yl-1H-pyrazole?
The InChIKey is MBWFWNQWFQNYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2S/c1-2-5-13-10-14(8-7-12(13)4-1)15-11-16(19-18-15)17-6-3-9-20-17/h1-11H,(H,18,19).
What are the key properties of 3-naphthalen-2-yl-5-thiophen-2-yl-1H-pyrazole?
3-naphthalen-2-yl-5-thiophen-2-yl-1H-pyrazole has a molecular weight of 276.36 g/mol, XLogP of 4.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-yl-5-thiophen-2-yl-1H-pyrazole is sourced from PubChem (CID 122400627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).