5-(2,3-dimethylpyrrol-1-yl)-1H-pyrazole

C9H11N3 — CID 91038572

IUPAC5-(2,3-dimethylpyrrol-1-yl)-1H-pyrazole
SMILESCc1ccn(-c2ccn[nH]2)c1C
InChIInChI=1S/C9H11N3/c1-7-4-6-12(8(7)2)9-3-5-10-11-9/h3-6H,1-2H3,(H,10,11)
InChIKeyWNSPEQVBINBSEO-UHFFFAOYSA-N
MW161.21 g/mol
LogP1.82
Rot. Bonds1

About 5-(2,3-dimethylpyrrol-1-yl)-1H-pyrazole

5-(2,3-dimethylpyrrol-1-yl)-1H-pyrazole (PubChem CID 91038572) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is 5-(2,3-dimethylpyrrol-1-yl)-1H-pyrazole.

Molecular Properties

Compound Name5-(2,3-dimethylpyrrol-1-yl)-1H-pyrazole
PubChem CID91038572
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name5-(2,3-dimethylpyrrol-1-yl)-1H-pyrazole
SMILESCc1ccn(-c2ccn[nH]2)c1C
InChIInChI=1S/C9H11N3/c1-7-4-6-12(8(7)2)9-3-5-10-11-9/h3-6H,1-2H3,(H,10,11)
InChIKeyWNSPEQVBINBSEO-UHFFFAOYSA-N
XLogP1.82
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethylpyrrol-1-yl)-1H-pyrazole?
The IUPAC name of 5-(2,3-dimethylpyrrol-1-yl)-1H-pyrazole (CID 91038572) is 5-(2,3-dimethylpyrrol-1-yl)-1H-pyrazole.
What is the SMILES notation for 5-(2,3-dimethylpyrrol-1-yl)-1H-pyrazole?
The canonical SMILES for 5-(2,3-dimethylpyrrol-1-yl)-1H-pyrazole is Cc1ccn(-c2ccn[nH]2)c1C.
What is the InChIKey of 5-(2,3-dimethylpyrrol-1-yl)-1H-pyrazole?
The InChIKey is WNSPEQVBINBSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3/c1-7-4-6-12(8(7)2)9-3-5-10-11-9/h3-6H,1-2H3,(H,10,11).
What are the key properties of 5-(2,3-dimethylpyrrol-1-yl)-1H-pyrazole?
5-(2,3-dimethylpyrrol-1-yl)-1H-pyrazole has a molecular weight of 161.21 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethylpyrrol-1-yl)-1H-pyrazole is sourced from PubChem (CID 91038572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).