5-methyl-3-pyrrol-1-yl-1H-pyrazole

C8H9N3 — CID 53215353

IUPAC5-methyl-3-pyrrol-1-yl-1H-pyrazole
SMILESCc1cc(-n2cccc2)n[nH]1
InChIInChI=1S/C8H9N3/c1-7-6-8(10-9-7)11-4-2-3-5-11/h2-6H,1H3,(H,9,10)
InChIKeyBYESZFBWVKHZEH-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.51
Rot. Bonds1

About 5-methyl-3-pyrrol-1-yl-1H-pyrazole

5-methyl-3-pyrrol-1-yl-1H-pyrazole (PubChem CID 53215353) has the molecular formula C8H9N3 and a molecular weight of 147.18 g/mol. Its IUPAC name is 5-methyl-3-pyrrol-1-yl-1H-pyrazole.

Molecular Properties

Compound Name5-methyl-3-pyrrol-1-yl-1H-pyrazole
PubChem CID53215353
Molecular FormulaC8H9N3
Molecular Weight147.18 g/mol
Exact Mass147.08
IUPAC Name5-methyl-3-pyrrol-1-yl-1H-pyrazole
SMILESCc1cc(-n2cccc2)n[nH]1
InChIInChI=1S/C8H9N3/c1-7-6-8(10-9-7)11-4-2-3-5-11/h2-6H,1H3,(H,9,10)
InChIKeyBYESZFBWVKHZEH-UHFFFAOYSA-N
XLogP1.51
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 ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 53215354
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CID 174877201
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CID 91038572
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CID 132493945
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CID 3058914
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CID 12698866
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CID 12560597
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CID 12560598

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-pyrrol-1-yl-1H-pyrazole?
The IUPAC name of 5-methyl-3-pyrrol-1-yl-1H-pyrazole (CID 53215353) is 5-methyl-3-pyrrol-1-yl-1H-pyrazole.
What is the SMILES notation for 5-methyl-3-pyrrol-1-yl-1H-pyrazole?
The canonical SMILES for 5-methyl-3-pyrrol-1-yl-1H-pyrazole is Cc1cc(-n2cccc2)n[nH]1.
What is the InChIKey of 5-methyl-3-pyrrol-1-yl-1H-pyrazole?
The InChIKey is BYESZFBWVKHZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3/c1-7-6-8(10-9-7)11-4-2-3-5-11/h2-6H,1H3,(H,9,10).
What are the key properties of 5-methyl-3-pyrrol-1-yl-1H-pyrazole?
5-methyl-3-pyrrol-1-yl-1H-pyrazole has a molecular weight of 147.18 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-pyrrol-1-yl-1H-pyrazole is sourced from PubChem (CID 53215353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).