5-methyl-3-(1-methylpyrrolidin-3-yl)-1H-pyrazole

C9H15N3 — CID 116856668

IUPAC5-methyl-3-(1-methylpyrrolidin-3-yl)-1H-pyrazole
SMILESCc1cc(C2CCN(C)C2)n[nH]1
InChIInChI=1S/C9H15N3/c1-7-5-9(11-10-7)8-3-4-12(2)6-8/h5,8H,3-4,6H2,1-2H3,(H,10,11)
InChIKeyRQRZWWUPKGOLJO-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.14
Rot. Bonds1

About 5-methyl-3-(1-methylpyrrolidin-3-yl)-1H-pyrazole

5-methyl-3-(1-methylpyrrolidin-3-yl)-1H-pyrazole (PubChem CID 116856668) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 5-methyl-3-(1-methylpyrrolidin-3-yl)-1H-pyrazole.

Molecular Properties

Compound Name5-methyl-3-(1-methylpyrrolidin-3-yl)-1H-pyrazole
PubChem CID116856668
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name5-methyl-3-(1-methylpyrrolidin-3-yl)-1H-pyrazole
SMILESCc1cc(C2CCN(C)C2)n[nH]1
InChIInChI=1S/C9H15N3/c1-7-5-9(11-10-7)8-3-4-12(2)6-8/h5,8H,3-4,6H2,1-2H3,(H,10,11)
InChIKeyRQRZWWUPKGOLJO-UHFFFAOYSA-N
XLogP1.14
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(1-methylpyrrolidin-3-yl)-1H-pyrazole?
The IUPAC name of 5-methyl-3-(1-methylpyrrolidin-3-yl)-1H-pyrazole (CID 116856668) is 5-methyl-3-(1-methylpyrrolidin-3-yl)-1H-pyrazole.
What is the SMILES notation for 5-methyl-3-(1-methylpyrrolidin-3-yl)-1H-pyrazole?
The canonical SMILES for 5-methyl-3-(1-methylpyrrolidin-3-yl)-1H-pyrazole is Cc1cc(C2CCN(C)C2)n[nH]1.
What is the InChIKey of 5-methyl-3-(1-methylpyrrolidin-3-yl)-1H-pyrazole?
The InChIKey is RQRZWWUPKGOLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-7-5-9(11-10-7)8-3-4-12(2)6-8/h5,8H,3-4,6H2,1-2H3,(H,10,11).
What are the key properties of 5-methyl-3-(1-methylpyrrolidin-3-yl)-1H-pyrazole?
5-methyl-3-(1-methylpyrrolidin-3-yl)-1H-pyrazole has a molecular weight of 165.24 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(1-methylpyrrolidin-3-yl)-1H-pyrazole is sourced from PubChem (CID 116856668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).