4-methyl-1-(pyrrolidin-2-ylmethyl)pyrazole

C9H15N3 — CID 54592630

IUPAC4-methyl-1-(pyrrolidin-2-ylmethyl)pyrazole
SMILESCc1cnn(CC2CCCN2)c1
InChIInChI=1S/C9H15N3/c1-8-5-11-12(6-8)7-9-3-2-4-10-9/h5-6,9-10H,2-4,7H2,1H3
InChIKeyHXOWPAAOYNLRFH-UHFFFAOYSA-N
MW165.24 g/mol
LogP0.94
Rot. Bonds2

About 4-methyl-1-(pyrrolidin-2-ylmethyl)pyrazole

4-methyl-1-(pyrrolidin-2-ylmethyl)pyrazole (PubChem CID 54592630) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 4-methyl-1-(pyrrolidin-2-ylmethyl)pyrazole.

Molecular Properties

Compound Name4-methyl-1-(pyrrolidin-2-ylmethyl)pyrazole
PubChem CID54592630
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name4-methyl-1-(pyrrolidin-2-ylmethyl)pyrazole
SMILESCc1cnn(CC2CCCN2)c1
InChIInChI=1S/C9H15N3/c1-8-5-11-12(6-8)7-9-3-2-4-10-9/h5-6,9-10H,2-4,7H2,1H3
InChIKeyHXOWPAAOYNLRFH-UHFFFAOYSA-N
XLogP0.94
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(pyrrolidin-2-ylmethyl)pyrazole?
The IUPAC name of 4-methyl-1-(pyrrolidin-2-ylmethyl)pyrazole (CID 54592630) is 4-methyl-1-(pyrrolidin-2-ylmethyl)pyrazole.
What is the SMILES notation for 4-methyl-1-(pyrrolidin-2-ylmethyl)pyrazole?
The canonical SMILES for 4-methyl-1-(pyrrolidin-2-ylmethyl)pyrazole is Cc1cnn(CC2CCCN2)c1.
What is the InChIKey of 4-methyl-1-(pyrrolidin-2-ylmethyl)pyrazole?
The InChIKey is HXOWPAAOYNLRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-8-5-11-12(6-8)7-9-3-2-4-10-9/h5-6,9-10H,2-4,7H2,1H3.
What are the key properties of 4-methyl-1-(pyrrolidin-2-ylmethyl)pyrazole?
4-methyl-1-(pyrrolidin-2-ylmethyl)pyrazole has a molecular weight of 165.24 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(pyrrolidin-2-ylmethyl)pyrazole is sourced from PubChem (CID 54592630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).