1-methyl-5-[(3S,4S)-4-propylpyrrolidin-3-yl]pyrazole

C11H19N3 — CID 125449442

IUPAC1-methyl-5-[(3S,4S)-4-propylpyrrolidin-3-yl]pyrazole
SMILESCCC[C@@H]1CNC[C@H]1c1ccnn1C
InChIInChI=1S/C11H19N3/c1-3-4-9-7-12-8-10(9)11-5-6-13-14(11)2/h5-6,9-10,12H,3-4,7-8H2,1-2H3/t9-,10-/m1/s1
InChIKeyBKWNXFNRPOXKSK-NXEZZACHSA-N
MW193.29 g/mol
LogP1.52
Rot. Bonds3

About 1-methyl-5-[(3S,4S)-4-propylpyrrolidin-3-yl]pyrazole

1-methyl-5-[(3S,4S)-4-propylpyrrolidin-3-yl]pyrazole (PubChem CID 125449442) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-methyl-5-[(3S,4S)-4-propylpyrrolidin-3-yl]pyrazole.

Molecular Properties

Compound Name1-methyl-5-[(3S,4S)-4-propylpyrrolidin-3-yl]pyrazole
PubChem CID125449442
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name1-methyl-5-[(3S,4S)-4-propylpyrrolidin-3-yl]pyrazole
SMILESCCC[C@@H]1CNC[C@H]1c1ccnn1C
InChIInChI=1S/C11H19N3/c1-3-4-9-7-12-8-10(9)11-5-6-13-14(11)2/h5-6,9-10,12H,3-4,7-8H2,1-2H3/t9-,10-/m1/s1
InChIKeyBKWNXFNRPOXKSK-NXEZZACHSA-N
XLogP1.52
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(3S,4S)-4-propylpyrrolidin-3-yl]pyrazole?
The IUPAC name of 1-methyl-5-[(3S,4S)-4-propylpyrrolidin-3-yl]pyrazole (CID 125449442) is 1-methyl-5-[(3S,4S)-4-propylpyrrolidin-3-yl]pyrazole.
What is the SMILES notation for 1-methyl-5-[(3S,4S)-4-propylpyrrolidin-3-yl]pyrazole?
The canonical SMILES for 1-methyl-5-[(3S,4S)-4-propylpyrrolidin-3-yl]pyrazole is CCC[C@@H]1CNC[C@H]1c1ccnn1C.
What is the InChIKey of 1-methyl-5-[(3S,4S)-4-propylpyrrolidin-3-yl]pyrazole?
The InChIKey is BKWNXFNRPOXKSK-NXEZZACHSA-N. The full InChI is InChI=1S/C11H19N3/c1-3-4-9-7-12-8-10(9)11-5-6-13-14(11)2/h5-6,9-10,12H,3-4,7-8H2,1-2H3/t9-,10-/m1/s1.
What are the key properties of 1-methyl-5-[(3S,4S)-4-propylpyrrolidin-3-yl]pyrazole?
1-methyl-5-[(3S,4S)-4-propylpyrrolidin-3-yl]pyrazole has a molecular weight of 193.29 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(3S,4S)-4-propylpyrrolidin-3-yl]pyrazole is sourced from PubChem (CID 125449442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).