1-methyl-5-(1H-pyrrol-2-yl)pyrazole

C8H9N3 — CID 137013321

IUPAC1-methyl-5-(1H-pyrrol-2-yl)pyrazole
SMILESCn1nccc1-c1ccc[nH]1
InChIInChI=1S/C8H9N3/c1-11-8(4-6-10-11)7-3-2-5-9-7/h2-6,9H,1H3
InChIKeyRVVCHJBNZBQBFX-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.42
Rot. Bonds1

About 1-methyl-5-(1H-pyrrol-2-yl)pyrazole

1-methyl-5-(1H-pyrrol-2-yl)pyrazole (PubChem CID 137013321) has the molecular formula C8H9N3 and a molecular weight of 147.18 g/mol. Its IUPAC name is 1-methyl-5-(1H-pyrrol-2-yl)pyrazole.

Molecular Properties

Compound Name1-methyl-5-(1H-pyrrol-2-yl)pyrazole
PubChem CID137013321
Molecular FormulaC8H9N3
Molecular Weight147.18 g/mol
Exact Mass147.08
IUPAC Name1-methyl-5-(1H-pyrrol-2-yl)pyrazole
SMILESCn1nccc1-c1ccc[nH]1
InChIInChI=1S/C8H9N3/c1-11-8(4-6-10-11)7-3-2-5-9-7/h2-6,9H,1H3
InChIKeyRVVCHJBNZBQBFX-UHFFFAOYSA-N
XLogP1.42
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(1H-pyrrol-2-yl)pyrazole?
The IUPAC name of 1-methyl-5-(1H-pyrrol-2-yl)pyrazole (CID 137013321) is 1-methyl-5-(1H-pyrrol-2-yl)pyrazole.
What is the SMILES notation for 1-methyl-5-(1H-pyrrol-2-yl)pyrazole?
The canonical SMILES for 1-methyl-5-(1H-pyrrol-2-yl)pyrazole is Cn1nccc1-c1ccc[nH]1.
What is the InChIKey of 1-methyl-5-(1H-pyrrol-2-yl)pyrazole?
The InChIKey is RVVCHJBNZBQBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3/c1-11-8(4-6-10-11)7-3-2-5-9-7/h2-6,9H,1H3.
What are the key properties of 1-methyl-5-(1H-pyrrol-2-yl)pyrazole?
1-methyl-5-(1H-pyrrol-2-yl)pyrazole has a molecular weight of 147.18 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(1H-pyrrol-2-yl)pyrazole is sourced from PubChem (CID 137013321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).