3-[(3-methyl-5-phenyl-1,2,4-triazol-1-yl)methyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole

C22H21N5 — CID 56528673

IUPAC3-[(3-methyl-5-phenyl-1,2,4-triazol-1-yl)methyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole
SMILESCc1nc(-c2ccccc2)n(Cc2nn(-c3ccccc3)c3c2CCC3)n1
InChIInChI=1S/C22H21N5/c1-16-23-22(17-9-4-2-5-10-17)26(24-16)15-20-19-13-8-14-21(19)27(25-20)18-11-6-3-7-12-18/h2-7,9-12H,8,13-15H2,1H3
InChIKeySIIDEXLSGJCBME-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.98
Rot. Bonds4

About 3-[(3-methyl-5-phenyl-1,2,4-triazol-1-yl)methyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole

3-[(3-methyl-5-phenyl-1,2,4-triazol-1-yl)methyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole (PubChem CID 56528673) has the molecular formula C22H21N5 and a molecular weight of 355.44 g/mol. Its IUPAC name is 3-[(3-methyl-5-phenyl-1,2,4-triazol-1-yl)methyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole.

Molecular Properties

Compound Name3-[(3-methyl-5-phenyl-1,2,4-triazol-1-yl)methyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole
PubChem CID56528673
Molecular FormulaC22H21N5
Molecular Weight355.44 g/mol
Exact Mass355.18
IUPAC Name3-[(3-methyl-5-phenyl-1,2,4-triazol-1-yl)methyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole
SMILESCc1nc(-c2ccccc2)n(Cc2nn(-c3ccccc3)c3c2CCC3)n1
InChIInChI=1S/C22H21N5/c1-16-23-22(17-9-4-2-5-10-17)26(24-16)15-20-19-13-8-14-21(19)27(25-20)18-11-6-3-7-12-18/h2-7,9-12H,8,13-15H2,1H3
InChIKeySIIDEXLSGJCBME-UHFFFAOYSA-N
XLogP3.98
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[(3-methyl-5-phenyl-1,2,4-triazol-1-yl)methyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole with MolForge

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Related Compounds

3-(chloromethyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole
CID 14576151
3-pentyl-1-phenyl-4,5,6,7-tetrahydroindazole
CID 102460361
3-pentyl-1-phenyl-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d]pyrazole
CID 139238265
(3S,4S)-4-methyl-1-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 122120805
8-chloro-1,3-dimethyl-7-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]purine-2,6-dione
CID 52810471
ethyl 1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate
CID 14576148
3-[(1,4-diphenylpyrazol-3-yl)methyl]-1-phenyl-4,5,6,7-tetrahydroindazole
CID 59661100
1-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 119904476
3-[(4-nitrophenoxy)methyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole
CID 52810459
2-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]-1,5,2-oxathiazepane 5,5-dioxide
CID 167941623
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]methanamine
CID 49229975
[1-(4-methoxyphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanol
CID 14576135

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methyl-5-phenyl-1,2,4-triazol-1-yl)methyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole?
The IUPAC name of 3-[(3-methyl-5-phenyl-1,2,4-triazol-1-yl)methyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole (CID 56528673) is 3-[(3-methyl-5-phenyl-1,2,4-triazol-1-yl)methyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole.
What is the SMILES notation for 3-[(3-methyl-5-phenyl-1,2,4-triazol-1-yl)methyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole?
The canonical SMILES for 3-[(3-methyl-5-phenyl-1,2,4-triazol-1-yl)methyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole is Cc1nc(-c2ccccc2)n(Cc2nn(-c3ccccc3)c3c2CCC3)n1.
What is the InChIKey of 3-[(3-methyl-5-phenyl-1,2,4-triazol-1-yl)methyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole?
The InChIKey is SIIDEXLSGJCBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5/c1-16-23-22(17-9-4-2-5-10-17)26(24-16)15-20-19-13-8-14-21(19)27(25-20)18-11-6-3-7-12-18/h2-7,9-12H,8,13-15H2,1H3.
What are the key properties of 3-[(3-methyl-5-phenyl-1,2,4-triazol-1-yl)methyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole?
3-[(3-methyl-5-phenyl-1,2,4-triazol-1-yl)methyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole has a molecular weight of 355.44 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methyl-5-phenyl-1,2,4-triazol-1-yl)methyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole is sourced from PubChem (CID 56528673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).