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

C18H17N3 — CID 3932283

IUPAC3-benzhydryl-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole
SMILESc1ccc(C(c2ccccc2)c2[nH]nc3c2CCN3)cc1
InChIInChI=1S/C18H17N3/c1-3-7-13(8-4-1)16(14-9-5-2-6-10-14)17-15-11-12-19-18(15)21-20-17/h1-10,16H,11-12H2,(H2,19,20,21)
InChIKeyGISLQAHFTJIXBR-UHFFFAOYSA-N
MW275.36 g/mol
LogP3.56
Rot. Bonds3

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

3-benzhydryl-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole (PubChem CID 3932283) has the molecular formula C18H17N3 and a molecular weight of 275.36 g/mol. Its IUPAC name is 3-benzhydryl-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole.

Molecular Properties

Compound Name3-benzhydryl-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole
PubChem CID3932283
Molecular FormulaC18H17N3
Molecular Weight275.36 g/mol
Exact Mass275.14
IUPAC Name3-benzhydryl-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole
SMILESc1ccc(C(c2ccccc2)c2[nH]nc3c2CCN3)cc1
InChIInChI=1S/C18H17N3/c1-3-7-13(8-4-1)16(14-9-5-2-6-10-14)17-15-11-12-19-18(15)21-20-17/h1-10,16H,11-12H2,(H2,19,20,21)
InChIKeyGISLQAHFTJIXBR-UHFFFAOYSA-N
XLogP3.56
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-benzhydryl-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-naphthalen-2-yl-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole
CID 3439346
4-benzhydrylpyridine;ethane
CID 90843990
3-naphthalen-2-yl-2,4,5,6,7,8-hexahydropyrazolo[3,4-b]azepine
CID 3481970
3-benzhydryl-1-(3,5-dichlorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 4537663
3-(3,5-dimethylphenyl)-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole
CID 4593273
7-phenyl-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 58675483
3-benzhydryl-1-(2,3-dichlorophenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3322892
lithium benzhydrylbenzene
CID 18381038
azane;benzhydrylbenzene
CID 70581647
3-[(S)-(4-chlorophenyl)-phenylmethyl]-1,2,5,6-tetrahydro-1,2,4-triazine
CID 129373371
benzhydrylbenzene hexatetrafluoroborate
CID 173334521
3-(2-methylsulfanylethyl)-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole
CID 3643510

Frequently Asked Questions

What is the IUPAC name of 3-benzhydryl-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole?
The IUPAC name of 3-benzhydryl-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole (CID 3932283) is 3-benzhydryl-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole.
What is the SMILES notation for 3-benzhydryl-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole?
The canonical SMILES for 3-benzhydryl-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole is c1ccc(C(c2ccccc2)c2[nH]nc3c2CCN3)cc1.
What is the InChIKey of 3-benzhydryl-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole?
The InChIKey is GISLQAHFTJIXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3/c1-3-7-13(8-4-1)16(14-9-5-2-6-10-14)17-15-11-12-19-18(15)21-20-17/h1-10,16H,11-12H2,(H2,19,20,21).
What are the key properties of 3-benzhydryl-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole?
3-benzhydryl-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole has a molecular weight of 275.36 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzhydryl-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole is sourced from PubChem (CID 3932283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).