4-naphthalen-1-yl-1-propan-2-ylpyrazole

C16H16N2 — CID 97034287

IUPAC4-naphthalen-1-yl-1-propan-2-ylpyrazole
SMILESCC(C)n1cc(-c2cccc3ccccc23)cn1
InChIInChI=1S/C16H16N2/c1-12(2)18-11-14(10-17-18)16-9-5-7-13-6-3-4-8-15(13)16/h3-12H,1-2H3
InChIKeyZWQMGQIRXYBNAU-UHFFFAOYSA-N
MW236.32 g/mol
LogP4.28
Rot. Bonds2

About 4-naphthalen-1-yl-1-propan-2-ylpyrazole

4-naphthalen-1-yl-1-propan-2-ylpyrazole (PubChem CID 97034287) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-naphthalen-1-yl-1-propan-2-ylpyrazole.

Molecular Properties

Compound Name4-naphthalen-1-yl-1-propan-2-ylpyrazole
PubChem CID97034287
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name4-naphthalen-1-yl-1-propan-2-ylpyrazole
SMILESCC(C)n1cc(-c2cccc3ccccc23)cn1
InChIInChI=1S/C16H16N2/c1-12(2)18-11-14(10-17-18)16-9-5-7-13-6-3-4-8-15(13)16/h3-12H,1-2H3
InChIKeyZWQMGQIRXYBNAU-UHFFFAOYSA-N
XLogP4.28
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-4-naphthalen-1-ylpyrazole
CID 97034296
4-(2,6-diethylphenyl)-1-propan-2-ylpyrazole
CID 153414844
N-(4-methyl-1,3-thiazol-2-yl)-2-(4-naphthalen-1-ylpyrazol-1-yl)butanamide
CID 171133551
2,2-dimethyl-N-[2-(1-propan-2-ylpyrazol-4-yl)phenyl]propanamide
CID 4170097
methyl 1,2-dimethyl-7-(1-propan-2-ylpyrazol-4-yl)indole-3-carboxylate
CID 171476940
1-[4-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene
CID 10983707
2-naphthalen-1-yl-5-propan-2-ylpyrimidine
CID 176640404
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

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-yl-1-propan-2-ylpyrazole?
The IUPAC name of 4-naphthalen-1-yl-1-propan-2-ylpyrazole (CID 97034287) is 4-naphthalen-1-yl-1-propan-2-ylpyrazole.
What is the SMILES notation for 4-naphthalen-1-yl-1-propan-2-ylpyrazole?
The canonical SMILES for 4-naphthalen-1-yl-1-propan-2-ylpyrazole is CC(C)n1cc(-c2cccc3ccccc23)cn1.
What is the InChIKey of 4-naphthalen-1-yl-1-propan-2-ylpyrazole?
The InChIKey is ZWQMGQIRXYBNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c1-12(2)18-11-14(10-17-18)16-9-5-7-13-6-3-4-8-15(13)16/h3-12H,1-2H3.
What are the key properties of 4-naphthalen-1-yl-1-propan-2-ylpyrazole?
4-naphthalen-1-yl-1-propan-2-ylpyrazole has a molecular weight of 236.32 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-1-yl-1-propan-2-ylpyrazole is sourced from PubChem (CID 97034287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).