5-naphthalen-1-yl-1H-pyrazole

C26H20N4 — CID 174464397

IUPAC5-naphthalen-1-yl-1H-pyrazole
SMILESc1ccc2c(-c3ccn[nH]3)cccc2c1.c1ccc2c(-c3ccn[nH]3)cccc2c1
InChIInChI=1S/2C13H10N2/c2*1-2-6-11-10(4-1)5-3-7-12(11)13-8-9-14-15-13/h2*1-9H,(H,14,15)
InChIKeyDZNWHYADUDCHKZ-UHFFFAOYSA-N
MW388.47 g/mol
LogP6.46
Rot. Bonds2

About 5-naphthalen-1-yl-1H-pyrazole

5-naphthalen-1-yl-1H-pyrazole (PubChem CID 174464397) has the molecular formula C26H20N4 and a molecular weight of 388.47 g/mol. Its IUPAC name is 5-naphthalen-1-yl-1H-pyrazole.

Molecular Properties

Compound Name5-naphthalen-1-yl-1H-pyrazole
PubChem CID174464397
Molecular FormulaC26H20N4
Molecular Weight388.47 g/mol
Exact Mass388.17
IUPAC Name5-naphthalen-1-yl-1H-pyrazole
SMILESc1ccc2c(-c3ccn[nH]3)cccc2c1.c1ccc2c(-c3ccn[nH]3)cccc2c1
InChIInChI=1S/2C13H10N2/c2*1-2-6-11-10(4-1)5-3-7-12(11)13-8-9-14-15-13/h2*1-9H,(H,14,15)
InChIKeyDZNWHYADUDCHKZ-UHFFFAOYSA-N
XLogP6.46
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 56.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-naphthalen-1-yl-1H-pyrazole
CID 2737035
5-(1-methoxynaphthalen-2-yl)-1H-pyrazole
CID 10376338
1-(1H-pyrazol-5-yl)acridine
CID 141081255
1-naphthalen-1-ylnaphthalene;ruthenium(2+);dichloride
CID 11327769
CID 175282704
CID 175282704
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408
1-naphthalen-1-ylnaphthalene;tetrahydrochloride
CID 68981096
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
8-(1H-pyrazol-5-yl)quinolin-4-amine
CID 50962059
[2-(1H-pyrazol-5-yl)phenyl]hydrazine
CID 55279278
5-naphthalen-1-yl-1H-imidazole-2-carbonitrile
CID 116879955

Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-1-yl-1H-pyrazole?
The IUPAC name of 5-naphthalen-1-yl-1H-pyrazole (CID 174464397) is 5-naphthalen-1-yl-1H-pyrazole.
What is the SMILES notation for 5-naphthalen-1-yl-1H-pyrazole?
The canonical SMILES for 5-naphthalen-1-yl-1H-pyrazole is c1ccc2c(-c3ccn[nH]3)cccc2c1.c1ccc2c(-c3ccn[nH]3)cccc2c1.
What is the InChIKey of 5-naphthalen-1-yl-1H-pyrazole?
The InChIKey is DZNWHYADUDCHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H10N2/c2*1-2-6-11-10(4-1)5-3-7-12(11)13-8-9-14-15-13/h2*1-9H,(H,14,15).
What are the key properties of 5-naphthalen-1-yl-1H-pyrazole?
5-naphthalen-1-yl-1H-pyrazole has a molecular weight of 388.47 g/mol, XLogP of 6.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-1-yl-1H-pyrazole is sourced from PubChem (CID 174464397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).