5-[(2R)-1-cyclopentylpyrrolidin-2-yl]-4-methyl-1H-pyrazole

C13H21N3 — CID 95817091

IUPAC5-[(2R)-1-cyclopentylpyrrolidin-2-yl]-4-methyl-1H-pyrazole
SMILESCc1cn[nH]c1[C@H]1CCCN1C1CCCC1
InChIInChI=1S/C13H21N3/c1-10-9-14-15-13(10)12-7-4-8-16(12)11-5-2-3-6-11/h9,11-12H,2-8H2,1H3,(H,14,15)/t12-/m1/s1
InChIKeyNLDXHQFPZZRTNN-GFCCVEGCSA-N
MW219.33 g/mol
LogP2.80
Rot. Bonds2

About 5-[(2R)-1-cyclopentylpyrrolidin-2-yl]-4-methyl-1H-pyrazole

5-[(2R)-1-cyclopentylpyrrolidin-2-yl]-4-methyl-1H-pyrazole (PubChem CID 95817091) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 5-[(2R)-1-cyclopentylpyrrolidin-2-yl]-4-methyl-1H-pyrazole.

Molecular Properties

Compound Name5-[(2R)-1-cyclopentylpyrrolidin-2-yl]-4-methyl-1H-pyrazole
PubChem CID95817091
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name5-[(2R)-1-cyclopentylpyrrolidin-2-yl]-4-methyl-1H-pyrazole
SMILESCc1cn[nH]c1[C@H]1CCCN1C1CCCC1
InChIInChI=1S/C13H21N3/c1-10-9-14-15-13(10)12-7-4-8-16(12)11-5-2-3-6-11/h9,11-12H,2-8H2,1H3,(H,14,15)/t12-/m1/s1
InChIKeyNLDXHQFPZZRTNN-GFCCVEGCSA-N
XLogP2.80
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-1-cyclopentylpyrrolidin-2-yl]-4-methyl-1H-pyrazole?
The IUPAC name of 5-[(2R)-1-cyclopentylpyrrolidin-2-yl]-4-methyl-1H-pyrazole (CID 95817091) is 5-[(2R)-1-cyclopentylpyrrolidin-2-yl]-4-methyl-1H-pyrazole.
What is the SMILES notation for 5-[(2R)-1-cyclopentylpyrrolidin-2-yl]-4-methyl-1H-pyrazole?
The canonical SMILES for 5-[(2R)-1-cyclopentylpyrrolidin-2-yl]-4-methyl-1H-pyrazole is Cc1cn[nH]c1[C@H]1CCCN1C1CCCC1.
What is the InChIKey of 5-[(2R)-1-cyclopentylpyrrolidin-2-yl]-4-methyl-1H-pyrazole?
The InChIKey is NLDXHQFPZZRTNN-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H21N3/c1-10-9-14-15-13(10)12-7-4-8-16(12)11-5-2-3-6-11/h9,11-12H,2-8H2,1H3,(H,14,15)/t12-/m1/s1.
What are the key properties of 5-[(2R)-1-cyclopentylpyrrolidin-2-yl]-4-methyl-1H-pyrazole?
5-[(2R)-1-cyclopentylpyrrolidin-2-yl]-4-methyl-1H-pyrazole has a molecular weight of 219.33 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-1-cyclopentylpyrrolidin-2-yl]-4-methyl-1H-pyrazole is sourced from PubChem (CID 95817091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).