1-(1-methylpyrrol-2-yl)pyrazole

C8H9N3 — CID 54198073

IUPAC1-(1-methylpyrrol-2-yl)pyrazole
SMILESCn1cccc1-n1cccn1
InChIInChI=1S/C8H9N3/c1-10-6-2-4-8(10)11-7-3-5-9-11/h2-7H,1H3
InChIKeyPNGVDKZSNNYFNP-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.21
Rot. Bonds1

About 1-(1-methylpyrrol-2-yl)pyrazole

1-(1-methylpyrrol-2-yl)pyrazole (PubChem CID 54198073) has the molecular formula C8H9N3 and a molecular weight of 147.18 g/mol. Its IUPAC name is 1-(1-methylpyrrol-2-yl)pyrazole.

Molecular Properties

Compound Name1-(1-methylpyrrol-2-yl)pyrazole
PubChem CID54198073
Molecular FormulaC8H9N3
Molecular Weight147.18 g/mol
Exact Mass147.08
IUPAC Name1-(1-methylpyrrol-2-yl)pyrazole
SMILESCn1cccc1-n1cccn1
InChIInChI=1S/C8H9N3/c1-10-6-2-4-8(10)11-7-3-5-9-11/h2-7H,1H3
InChIKeyPNGVDKZSNNYFNP-UHFFFAOYSA-N
XLogP1.21
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrrol-2-yl)pyrazole?
The IUPAC name of 1-(1-methylpyrrol-2-yl)pyrazole (CID 54198073) is 1-(1-methylpyrrol-2-yl)pyrazole.
What is the SMILES notation for 1-(1-methylpyrrol-2-yl)pyrazole?
The canonical SMILES for 1-(1-methylpyrrol-2-yl)pyrazole is Cn1cccc1-n1cccn1.
What is the InChIKey of 1-(1-methylpyrrol-2-yl)pyrazole?
The InChIKey is PNGVDKZSNNYFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3/c1-10-6-2-4-8(10)11-7-3-5-9-11/h2-7H,1H3.
What are the key properties of 1-(1-methylpyrrol-2-yl)pyrazole?
1-(1-methylpyrrol-2-yl)pyrazole has a molecular weight of 147.18 g/mol, XLogP of 1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrrol-2-yl)pyrazole is sourced from PubChem (CID 54198073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).