1-propyl-5-(2-propylpyrrolidin-2-yl)pyrazole

C13H23N3 — CID 66467395

IUPAC1-propyl-5-(2-propylpyrrolidin-2-yl)pyrazole
SMILESCCCn1nccc1C1(CCC)CCCN1
InChIInChI=1S/C13H23N3/c1-3-7-13(8-5-9-14-13)12-6-10-15-16(12)11-4-2/h6,10,14H,3-5,7-9,11H2,1-2H3
InChIKeySFDRMEUZSLMZHM-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.67
Rot. Bonds5

About 1-propyl-5-(2-propylpyrrolidin-2-yl)pyrazole

1-propyl-5-(2-propylpyrrolidin-2-yl)pyrazole (PubChem CID 66467395) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-propyl-5-(2-propylpyrrolidin-2-yl)pyrazole.

Molecular Properties

Compound Name1-propyl-5-(2-propylpyrrolidin-2-yl)pyrazole
PubChem CID66467395
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-propyl-5-(2-propylpyrrolidin-2-yl)pyrazole
SMILESCCCn1nccc1C1(CCC)CCCN1
InChIInChI=1S/C13H23N3/c1-3-7-13(8-5-9-14-13)12-6-10-15-16(12)11-4-2/h6,10,14H,3-5,7-9,11H2,1-2H3
InChIKeySFDRMEUZSLMZHM-UHFFFAOYSA-N
XLogP2.67
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-5-(2-propylpyrrolidin-2-yl)pyrazole?
The IUPAC name of 1-propyl-5-(2-propylpyrrolidin-2-yl)pyrazole (CID 66467395) is 1-propyl-5-(2-propylpyrrolidin-2-yl)pyrazole.
What is the SMILES notation for 1-propyl-5-(2-propylpyrrolidin-2-yl)pyrazole?
The canonical SMILES for 1-propyl-5-(2-propylpyrrolidin-2-yl)pyrazole is CCCn1nccc1C1(CCC)CCCN1.
What is the InChIKey of 1-propyl-5-(2-propylpyrrolidin-2-yl)pyrazole?
The InChIKey is SFDRMEUZSLMZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-3-7-13(8-5-9-14-13)12-6-10-15-16(12)11-4-2/h6,10,14H,3-5,7-9,11H2,1-2H3.
What are the key properties of 1-propyl-5-(2-propylpyrrolidin-2-yl)pyrazole?
1-propyl-5-(2-propylpyrrolidin-2-yl)pyrazole has a molecular weight of 221.35 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-5-(2-propylpyrrolidin-2-yl)pyrazole is sourced from PubChem (CID 66467395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).