1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazole

C14H16N2 — CID 116869099

IUPAC1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazole
SMILESCn1nccc1-c1ccc2c(c1)CCCC2
InChIInChI=1S/C14H16N2/c1-16-14(8-9-15-16)13-7-6-11-4-2-3-5-12(11)10-13/h6-10H,2-5H2,1H3
InChIKeyWTEIGPVNEWQEQM-UHFFFAOYSA-N
MW212.30 g/mol
LogP2.97
Rot. Bonds1

About 1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazole

1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazole (PubChem CID 116869099) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazole.

Molecular Properties

Compound Name1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazole
PubChem CID116869099
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazole
SMILESCn1nccc1-c1ccc2c(c1)CCCC2
InChIInChI=1S/C14H16N2/c1-16-14(8-9-15-16)13-7-6-11-4-2-3-5-12(11)10-13/h6-10H,2-5H2,1H3
InChIKeyWTEIGPVNEWQEQM-UHFFFAOYSA-N
XLogP2.97
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2,3-dihydro-1H-inden-5-yl)-1-methylpyrazole
CID 116869108
2'-methyl-6-(2-methylpyrazol-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,4'-5H-1,3-oxazole]
CID 58466946
1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazole
CID 91528973
5-(3,4-dichlorophenyl)-1-methylpyrazole
CID 71232464
5-(4-chlorophenyl)-1-methylpyrazole
CID 12581093
1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrrole-2-carboxylic acid
CID 82088702
3-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole
CID 116868892
5-benzylsulfanyl-2,3-dihydro-1H-indene;1-methyl-5-[3-(trifluoromethyl)phenyl]pyrazole
CID 142423988
3-amino-1-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-2-one
CID 82466908
N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(2-methylpyrazol-3-yl)ethanamine
CID 104694435
4-amino-2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-one
CID 82467444
5-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole
CID 116869104

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazole?
The IUPAC name of 1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazole (CID 116869099) is 1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazole.
What is the SMILES notation for 1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazole?
The canonical SMILES for 1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazole is Cn1nccc1-c1ccc2c(c1)CCCC2.
What is the InChIKey of 1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazole?
The InChIKey is WTEIGPVNEWQEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-16-14(8-9-15-16)13-7-6-11-4-2-3-5-12(11)10-13/h6-10H,2-5H2,1H3.
What are the key properties of 1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazole?
1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazole has a molecular weight of 212.30 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazole is sourced from PubChem (CID 116869099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).