1-(2,3-dimethylphenyl)-3-propyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole

C16H21N3 — CID 4675692

IUPAC1-(2,3-dimethylphenyl)-3-propyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
SMILESCCCc1nn(-c2cccc(C)c2C)c2c1CCN2
InChIInChI=1S/C16H21N3/c1-4-6-14-13-9-10-17-16(13)19(18-14)15-8-5-7-11(2)12(15)3/h5,7-8,17H,4,6,9-10H2,1-3H3
InChIKeyQBBSXZZETQPPKG-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.41
Rot. Bonds3

About 1-(2,3-dimethylphenyl)-3-propyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole

1-(2,3-dimethylphenyl)-3-propyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole (PubChem CID 4675692) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-3-propyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-3-propyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
PubChem CID4675692
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name1-(2,3-dimethylphenyl)-3-propyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
SMILESCCCc1nn(-c2cccc(C)c2C)c2c1CCN2
InChIInChI=1S/C16H21N3/c1-4-6-14-13-9-10-17-16(13)19(18-14)15-8-5-7-11(2)12(15)3/h5,7-8,17H,4,6,9-10H2,1-3H3
InChIKeyQBBSXZZETQPPKG-UHFFFAOYSA-N
XLogP3.41
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-butyl-1-(3-chloro-2-methylphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 4038533
1-(2,3-dimethylphenyl)-3-[(4-methoxyphenyl)methyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 4007186
1-(2,3-dimethylphenyl)-3-phenyl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 5244134
1-(4-chloro-2-methylphenyl)-3-propyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 3912862
1-(2,3-dimethylphenyl)-3-(2,2-diphenylethyl)-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-b]azepine
CID 3917095
1-(2,3-dimethylphenyl)-3-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-b]azepine
CID 3996113
1-(2-methylphenyl)-3-(methylsulfanylmethyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 3561251
1-(4-methylphenyl)-3-propyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 5134977
3-(4-bromophenyl)-1-(2,3-dimethylphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3619358
3-butyl-1-(2-ethoxyphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 3663559
1-(2,3-dimethylphenyl)-3-pentan-3-yl-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 4028965
1-(2-propan-2-ylphenyl)-3-propyl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-b]azepine
CID 3609030

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-3-propyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The IUPAC name of 1-(2,3-dimethylphenyl)-3-propyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole (CID 4675692) is 1-(2,3-dimethylphenyl)-3-propyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-3-propyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The canonical SMILES for 1-(2,3-dimethylphenyl)-3-propyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole is CCCc1nn(-c2cccc(C)c2C)c2c1CCN2.
What is the InChIKey of 1-(2,3-dimethylphenyl)-3-propyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The InChIKey is QBBSXZZETQPPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-4-6-14-13-9-10-17-16(13)19(18-14)15-8-5-7-11(2)12(15)3/h5,7-8,17H,4,6,9-10H2,1-3H3.
What are the key properties of 1-(2,3-dimethylphenyl)-3-propyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
1-(2,3-dimethylphenyl)-3-propyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole has a molecular weight of 255.36 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-3-propyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole is sourced from PubChem (CID 4675692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).