1,3-dimethyl-5-phenyl-4H-pyrrolo[2,3-d]pyrazole

C13H13N3 — CID 137199587

IUPAC1,3-dimethyl-5-phenyl-4H-pyrrolo[2,3-d]pyrazole
SMILESCc1nn(C)c2cc(-c3ccccc3)[nH]c12
InChIInChI=1S/C13H13N3/c1-9-13-12(16(2)15-9)8-11(14-13)10-6-4-3-5-7-10/h3-8,14H,1-2H3
InChIKeyCBZIWNWTVFMKFD-UHFFFAOYSA-N
MW211.27 g/mol
LogP2.88
Rot. Bonds1

About 1,3-dimethyl-5-phenyl-4H-pyrrolo[2,3-d]pyrazole

1,3-dimethyl-5-phenyl-4H-pyrrolo[2,3-d]pyrazole (PubChem CID 137199587) has the molecular formula C13H13N3 and a molecular weight of 211.27 g/mol. Its IUPAC name is 1,3-dimethyl-5-phenyl-4H-pyrrolo[2,3-d]pyrazole.

Molecular Properties

Compound Name1,3-dimethyl-5-phenyl-4H-pyrrolo[2,3-d]pyrazole
PubChem CID137199587
Molecular FormulaC13H13N3
Molecular Weight211.27 g/mol
Exact Mass211.11
IUPAC Name1,3-dimethyl-5-phenyl-4H-pyrrolo[2,3-d]pyrazole
SMILESCc1nn(C)c2cc(-c3ccccc3)[nH]c12
InChIInChI=1S/C13H13N3/c1-9-13-12(16(2)15-9)8-11(14-13)10-6-4-3-5-7-10/h3-8,14H,1-2H3
InChIKeyCBZIWNWTVFMKFD-UHFFFAOYSA-N
XLogP2.88
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-phenyl-4H-pyrrolo[2,3-d]pyrazole?
The IUPAC name of 1,3-dimethyl-5-phenyl-4H-pyrrolo[2,3-d]pyrazole (CID 137199587) is 1,3-dimethyl-5-phenyl-4H-pyrrolo[2,3-d]pyrazole.
What is the SMILES notation for 1,3-dimethyl-5-phenyl-4H-pyrrolo[2,3-d]pyrazole?
The canonical SMILES for 1,3-dimethyl-5-phenyl-4H-pyrrolo[2,3-d]pyrazole is Cc1nn(C)c2cc(-c3ccccc3)[nH]c12.
What is the InChIKey of 1,3-dimethyl-5-phenyl-4H-pyrrolo[2,3-d]pyrazole?
The InChIKey is CBZIWNWTVFMKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3/c1-9-13-12(16(2)15-9)8-11(14-13)10-6-4-3-5-7-10/h3-8,14H,1-2H3.
What are the key properties of 1,3-dimethyl-5-phenyl-4H-pyrrolo[2,3-d]pyrazole?
1,3-dimethyl-5-phenyl-4H-pyrrolo[2,3-d]pyrazole has a molecular weight of 211.27 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-phenyl-4H-pyrrolo[2,3-d]pyrazole is sourced from PubChem (CID 137199587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).