1-methyl-5-[[(2R)-pyrrolidin-2-yl]methyl]pyrazole

C9H15N3 — CID 96737048

IUPAC1-methyl-5-[[(2R)-pyrrolidin-2-yl]methyl]pyrazole
SMILESCn1nccc1C[C@H]1CCCN1
InChIInChI=1S/C9H15N3/c1-12-9(4-6-11-12)7-8-3-2-5-10-8/h4,6,8,10H,2-3,5,7H2,1H3/t8-/m1/s1
InChIKeyFBOYNKBMEFLVJT-MRVPVSSYSA-N
MW165.24 g/mol
LogP0.71
Rot. Bonds2

About 1-methyl-5-[[(2R)-pyrrolidin-2-yl]methyl]pyrazole

1-methyl-5-[[(2R)-pyrrolidin-2-yl]methyl]pyrazole (PubChem CID 96737048) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-methyl-5-[[(2R)-pyrrolidin-2-yl]methyl]pyrazole.

Molecular Properties

Compound Name1-methyl-5-[[(2R)-pyrrolidin-2-yl]methyl]pyrazole
PubChem CID96737048
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name1-methyl-5-[[(2R)-pyrrolidin-2-yl]methyl]pyrazole
SMILESCn1nccc1C[C@H]1CCCN1
InChIInChI=1S/C9H15N3/c1-12-9(4-6-11-12)7-8-3-2-5-10-8/h4,6,8,10H,2-3,5,7H2,1H3/t8-/m1/s1
InChIKeyFBOYNKBMEFLVJT-MRVPVSSYSA-N
XLogP0.71
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 ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[[(2R)-pyrrolidin-2-yl]methyl]pyrazole?
The IUPAC name of 1-methyl-5-[[(2R)-pyrrolidin-2-yl]methyl]pyrazole (CID 96737048) is 1-methyl-5-[[(2R)-pyrrolidin-2-yl]methyl]pyrazole.
What is the SMILES notation for 1-methyl-5-[[(2R)-pyrrolidin-2-yl]methyl]pyrazole?
The canonical SMILES for 1-methyl-5-[[(2R)-pyrrolidin-2-yl]methyl]pyrazole is Cn1nccc1C[C@H]1CCCN1.
What is the InChIKey of 1-methyl-5-[[(2R)-pyrrolidin-2-yl]methyl]pyrazole?
The InChIKey is FBOYNKBMEFLVJT-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H15N3/c1-12-9(4-6-11-12)7-8-3-2-5-10-8/h4,6,8,10H,2-3,5,7H2,1H3/t8-/m1/s1.
What are the key properties of 1-methyl-5-[[(2R)-pyrrolidin-2-yl]methyl]pyrazole?
1-methyl-5-[[(2R)-pyrrolidin-2-yl]methyl]pyrazole has a molecular weight of 165.24 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[[(2R)-pyrrolidin-2-yl]methyl]pyrazole is sourced from PubChem (CID 96737048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).