1-(1-cyclopentylpyrrolidin-3-yl)-4-methylpyrazole

C13H21N3 — CID 126947275

IUPAC1-(1-cyclopentylpyrrolidin-3-yl)-4-methylpyrazole
SMILESCc1cnn(C2CCN(C3CCCC3)C2)c1
InChIInChI=1S/C13H21N3/c1-11-8-14-16(9-11)13-6-7-15(10-13)12-4-2-3-5-12/h8-9,12-13H,2-7,10H2,1H3
InChIKeyFFMBFTZLDDNPLN-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.38
Rot. Bonds2

About 1-(1-cyclopentylpyrrolidin-3-yl)-4-methylpyrazole

1-(1-cyclopentylpyrrolidin-3-yl)-4-methylpyrazole (PubChem CID 126947275) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(1-cyclopentylpyrrolidin-3-yl)-4-methylpyrazole.

Molecular Properties

Compound Name1-(1-cyclopentylpyrrolidin-3-yl)-4-methylpyrazole
PubChem CID126947275
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name1-(1-cyclopentylpyrrolidin-3-yl)-4-methylpyrazole
SMILESCc1cnn(C2CCN(C3CCCC3)C2)c1
InChIInChI=1S/C13H21N3/c1-11-8-14-16(9-11)13-6-7-15(10-13)12-4-2-3-5-12/h8-9,12-13H,2-7,10H2,1H3
InChIKeyFFMBFTZLDDNPLN-UHFFFAOYSA-N
XLogP2.38
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylpyrrolidin-3-yl)-4-methylpyrazole?
The IUPAC name of 1-(1-cyclopentylpyrrolidin-3-yl)-4-methylpyrazole (CID 126947275) is 1-(1-cyclopentylpyrrolidin-3-yl)-4-methylpyrazole.
What is the SMILES notation for 1-(1-cyclopentylpyrrolidin-3-yl)-4-methylpyrazole?
The canonical SMILES for 1-(1-cyclopentylpyrrolidin-3-yl)-4-methylpyrazole is Cc1cnn(C2CCN(C3CCCC3)C2)c1.
What is the InChIKey of 1-(1-cyclopentylpyrrolidin-3-yl)-4-methylpyrazole?
The InChIKey is FFMBFTZLDDNPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-11-8-14-16(9-11)13-6-7-15(10-13)12-4-2-3-5-12/h8-9,12-13H,2-7,10H2,1H3.
What are the key properties of 1-(1-cyclopentylpyrrolidin-3-yl)-4-methylpyrazole?
1-(1-cyclopentylpyrrolidin-3-yl)-4-methylpyrazole has a molecular weight of 219.33 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentylpyrrolidin-3-yl)-4-methylpyrazole is sourced from PubChem (CID 126947275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).