5-(3,5-dimethyl-1H-pyrrol-2-yl)-1H-pyrazole

C9H11N3 — CID 2742128

IUPAC5-(3,5-dimethyl-1H-pyrrol-2-yl)-1H-pyrazole
SMILESCc1cc(C)c(-c2ccn[nH]2)[nH]1
InChIInChI=1S/C9H11N3/c1-6-5-7(2)11-9(6)8-3-4-10-12-8/h3-5,11H,1-2H3,(H,10,12)
InChIKeyNAZLFNYLOYJQEP-UHFFFAOYSA-N
MW161.21 g/mol
LogP2.02
Rot. Bonds1

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

5-(3,5-dimethyl-1H-pyrrol-2-yl)-1H-pyrazole (PubChem CID 2742128) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1H-pyrrol-2-yl)-1H-pyrazole.

Molecular Properties

Compound Name5-(3,5-dimethyl-1H-pyrrol-2-yl)-1H-pyrazole
PubChem CID2742128
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name5-(3,5-dimethyl-1H-pyrrol-2-yl)-1H-pyrazole
SMILESCc1cc(C)c(-c2ccn[nH]2)[nH]1
InChIInChI=1S/C9H11N3/c1-6-5-7(2)11-9(6)8-3-4-10-12-8/h3-5,11H,1-2H3,(H,10,12)
InChIKeyNAZLFNYLOYJQEP-UHFFFAOYSA-N
XLogP2.02
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1H-pyrrol-2-yl)-1H-pyrazole?
The IUPAC name of 5-(3,5-dimethyl-1H-pyrrol-2-yl)-1H-pyrazole (CID 2742128) is 5-(3,5-dimethyl-1H-pyrrol-2-yl)-1H-pyrazole.
What is the SMILES notation for 5-(3,5-dimethyl-1H-pyrrol-2-yl)-1H-pyrazole?
The canonical SMILES for 5-(3,5-dimethyl-1H-pyrrol-2-yl)-1H-pyrazole is Cc1cc(C)c(-c2ccn[nH]2)[nH]1.
What is the InChIKey of 5-(3,5-dimethyl-1H-pyrrol-2-yl)-1H-pyrazole?
The InChIKey is NAZLFNYLOYJQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3/c1-6-5-7(2)11-9(6)8-3-4-10-12-8/h3-5,11H,1-2H3,(H,10,12).
What are the key properties of 5-(3,5-dimethyl-1H-pyrrol-2-yl)-1H-pyrazole?
5-(3,5-dimethyl-1H-pyrrol-2-yl)-1H-pyrazole has a molecular weight of 161.21 g/mol, XLogP of 2.02, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-1H-pyrrol-2-yl)-1H-pyrazole is sourced from PubChem (CID 2742128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).