3-naphthalen-2-yl-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole

C15H13N3 — CID 3439346

IUPAC3-naphthalen-2-yl-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole
SMILESc1ccc2cc(-c3[nH]nc4c3CCN4)ccc2c1
InChIInChI=1S/C15H13N3/c1-2-4-11-9-12(6-5-10(11)3-1)14-13-7-8-16-15(13)18-17-14/h1-6,9H,7-8H2,(H2,16,17,18)
InChIKeyROMDGSWHSPNIIG-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.20
Rot. Bonds1

About 3-naphthalen-2-yl-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole

3-naphthalen-2-yl-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole (PubChem CID 3439346) has the molecular formula C15H13N3 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-naphthalen-2-yl-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole.

Molecular Properties

Compound Name3-naphthalen-2-yl-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole
PubChem CID3439346
Molecular FormulaC15H13N3
Molecular Weight235.29 g/mol
Exact Mass235.11
IUPAC Name3-naphthalen-2-yl-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole
SMILESc1ccc2cc(-c3[nH]nc4c3CCN4)ccc2c1
InChIInChI=1S/C15H13N3/c1-2-4-11-9-12(6-5-10(11)3-1)14-13-7-8-16-15(13)18-17-14/h1-6,9H,7-8H2,(H2,16,17,18)
InChIKeyROMDGSWHSPNIIG-UHFFFAOYSA-N
XLogP3.20
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-naphthalen-2-yl-2,4,5,6,7,8-hexahydropyrazolo[3,4-b]azepine
CID 3481970
3-naphthalen-2-yl-4,5-dihydro-2H-thieno[2,3-c]pyrazole
CID 71031828
4-naphthalen-2-yl-2,3-dihydro-1H-indole
CID 116698319
3-naphthalen-2-yl-2H-thieno[2,3-c]pyrazole
CID 59796953
2-naphthalen-2-yl-4,5-dihydro-1H-imidazole
CID 11769428
5-naphthalen-2-yl-N-pyrrolidin-3-yl-1H-pyrazol-3-amine
CID 114697920
1-(4-methylphenyl)-3-naphthalen-2-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 4533947
3-(5-bromo-3-pyridinyl)-2,4,5,6,7,8-hexahydropyrazolo[3,4-b]azepine
CID 3526680
1-(3,4-dimethylphenyl)-3-naphthalen-2-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 4655768
2-(4-naphthalen-2-ylphenyl)-4,5-dihydro-1H-imidazole;hydroiodide
CID 158320426
7-naphthalen-2-yl-1,2,3,4-tetrahydroquinoline
CID 81230530
1-(2,5-dimethylphenyl)-3-naphthalen-2-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3890649

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-yl-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole?
The IUPAC name of 3-naphthalen-2-yl-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole (CID 3439346) is 3-naphthalen-2-yl-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole.
What is the SMILES notation for 3-naphthalen-2-yl-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole?
The canonical SMILES for 3-naphthalen-2-yl-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole is c1ccc2cc(-c3[nH]nc4c3CCN4)ccc2c1.
What is the InChIKey of 3-naphthalen-2-yl-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole?
The InChIKey is ROMDGSWHSPNIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3/c1-2-4-11-9-12(6-5-10(11)3-1)14-13-7-8-16-15(13)18-17-14/h1-6,9H,7-8H2,(H2,16,17,18).
What are the key properties of 3-naphthalen-2-yl-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole?
3-naphthalen-2-yl-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole has a molecular weight of 235.29 g/mol, XLogP of 3.20, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-yl-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole is sourced from PubChem (CID 3439346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).