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

C16H21N3 — CID 107330715

IUPAC1-phenyl-5-(2-propylpyrrolidin-2-yl)pyrazole
SMILESCCCC1(c2ccnn2-c2ccccc2)CCCN1
InChIInChI=1S/C16H21N3/c1-2-10-16(11-6-12-17-16)15-9-13-18-19(15)14-7-4-3-5-8-14/h3-5,7-9,13,17H,2,6,10-12H2,1H3
InChIKeyTUSNCJAXHPCORE-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.25
Rot. Bonds4

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

1-phenyl-5-(2-propylpyrrolidin-2-yl)pyrazole (PubChem CID 107330715) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 1-phenyl-5-(2-propylpyrrolidin-2-yl)pyrazole.

Molecular Properties

Compound Name1-phenyl-5-(2-propylpyrrolidin-2-yl)pyrazole
PubChem CID107330715
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name1-phenyl-5-(2-propylpyrrolidin-2-yl)pyrazole
SMILESCCCC1(c2ccnn2-c2ccccc2)CCCN1
InChIInChI=1S/C16H21N3/c1-2-10-16(11-6-12-17-16)15-9-13-18-19(15)14-7-4-3-5-8-14/h3-5,7-9,13,17H,2,6,10-12H2,1H3
InChIKeyTUSNCJAXHPCORE-UHFFFAOYSA-N
XLogP3.25
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-5-(2-propylpyrrolidin-2-yl)pyrazole
CID 66467391
1-propyl-5-(2-propylpyrrolidin-2-yl)pyrazole
CID 66467395
2-(2-ethylpyrazol-3-yl)-2-propylazepane
CID 79118018
3-methyl-4-phenyl-5-(2-propylpyrrolidin-2-yl)-1,2,4-triazole
CID 106979130
2-methyl-2-(2-phenylpyrazol-3-yl)azepane
CID 107330736
2-(2-fluorophenyl)-2-propylpyrrolidine
CID 66468299
2-phenyl-2-propylazepane
CID 79117631
1-(2-phenylpyrazol-3-yl)cyclobutan-1-ol
CID 107329942
1-methyl-2-(2-propylpyrrolidin-2-yl)imidazole
CID 66467396
2-(3-methyltriazol-4-yl)-2-propylazepane
CID 114688469
2-(2-propylpyrrolidin-2-yl)-1H-benzimidazole
CID 106977720
1-methyl-4-(2-phenylpyrazol-3-yl)piperidin-4-ol
CID 107329806

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5-(2-propylpyrrolidin-2-yl)pyrazole?
The IUPAC name of 1-phenyl-5-(2-propylpyrrolidin-2-yl)pyrazole (CID 107330715) is 1-phenyl-5-(2-propylpyrrolidin-2-yl)pyrazole.
What is the SMILES notation for 1-phenyl-5-(2-propylpyrrolidin-2-yl)pyrazole?
The canonical SMILES for 1-phenyl-5-(2-propylpyrrolidin-2-yl)pyrazole is CCCC1(c2ccnn2-c2ccccc2)CCCN1.
What is the InChIKey of 1-phenyl-5-(2-propylpyrrolidin-2-yl)pyrazole?
The InChIKey is TUSNCJAXHPCORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-2-10-16(11-6-12-17-16)15-9-13-18-19(15)14-7-4-3-5-8-14/h3-5,7-9,13,17H,2,6,10-12H2,1H3.
What are the key properties of 1-phenyl-5-(2-propylpyrrolidin-2-yl)pyrazole?
1-phenyl-5-(2-propylpyrrolidin-2-yl)pyrazole has a molecular weight of 255.37 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-(2-propylpyrrolidin-2-yl)pyrazole is sourced from PubChem (CID 107330715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).