1-methyl-3-pyrrol-1-ylpyrazole

C8H9N3 — CID 60809168

IUPAC1-methyl-3-pyrrol-1-ylpyrazole
SMILESCn1ccc(-n2cccc2)n1
InChIInChI=1S/C8H9N3/c1-10-7-4-8(9-10)11-5-2-3-6-11/h2-7H,1H3
InChIKeyOEWWNHLCARLPOH-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.21
Rot. Bonds1

About 1-methyl-3-pyrrol-1-ylpyrazole

1-methyl-3-pyrrol-1-ylpyrazole (PubChem CID 60809168) has the molecular formula C8H9N3 and a molecular weight of 147.18 g/mol. Its IUPAC name is 1-methyl-3-pyrrol-1-ylpyrazole.

Molecular Properties

Compound Name1-methyl-3-pyrrol-1-ylpyrazole
PubChem CID60809168
Molecular FormulaC8H9N3
Molecular Weight147.18 g/mol
Exact Mass147.08
IUPAC Name1-methyl-3-pyrrol-1-ylpyrazole
SMILESCn1ccc(-n2cccc2)n1
InChIInChI=1S/C8H9N3/c1-10-7-4-8(9-10)11-5-2-3-6-11/h2-7H,1H3
InChIKeyOEWWNHLCARLPOH-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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Related Compounds

1-(2-Cyanoethyl)-5-pyrrol-1-ylpyrazole-4-carbonitrile
CID 2797766
3-(1H-pyrazol-1-yl)pyridazine
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1-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonitrile
CID 2797249
N,N-diethyl-5-pyrrol-1-yl-1,3,4-thiadiazol-2-amine
CID 20885086
CID 12698877
CID 12698877
3-(2,5-dimethyl-1H-pyrrol-1-yl)-1-methyl-1H-pyrazole
CID 13248995
1,2-Di(pyrrol-1-yl)pyrrole
CID 21909405
1'-Methyl-1,2'-bipyrrole
CID 25158349
3-(Azol-1-yl)pyrazole
CID 53215354
3,6-Di(azol-1-yl)-1,2,4,5-tetrazine
CID 101726616
1-Ethyl-5-pyrrol-1-yl-4-(trifluoromethylsulfanyl)pyrazole
CID 57239272
1-Methyl-5-pyrrol-1-yl-1h-pyrazole-4-carbonyl fluoride
CID 58724547

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-pyrrol-1-ylpyrazole?
The IUPAC name of 1-methyl-3-pyrrol-1-ylpyrazole (CID 60809168) is 1-methyl-3-pyrrol-1-ylpyrazole.
What is the SMILES notation for 1-methyl-3-pyrrol-1-ylpyrazole?
The canonical SMILES for 1-methyl-3-pyrrol-1-ylpyrazole is Cn1ccc(-n2cccc2)n1.
What is the InChIKey of 1-methyl-3-pyrrol-1-ylpyrazole?
The InChIKey is OEWWNHLCARLPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3/c1-10-7-4-8(9-10)11-5-2-3-6-11/h2-7H,1H3.
What are the key properties of 1-methyl-3-pyrrol-1-ylpyrazole?
1-methyl-3-pyrrol-1-ylpyrazole 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-methyl-3-pyrrol-1-ylpyrazole is sourced from PubChem (CID 60809168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).