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

C11H19N3 — CID 125449460

IUPAC1-methyl-5-[(3R,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-ZJUUUORDSA-N
MW193.29 g/mol
LogP1.52
Rot. Bonds3

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

1-methyl-5-[(3R,4S)-4-propylpyrrolidin-3-yl]pyrazole (PubChem CID 125449460) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-methyl-5-[(3R,4S)-4-propylpyrrolidin-3-yl]pyrazole.

Molecular Properties

Compound Name1-methyl-5-[(3R,4S)-4-propylpyrrolidin-3-yl]pyrazole
PubChem CID125449460
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name1-methyl-5-[(3R,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-ZJUUUORDSA-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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Related Compounds

1-methyl-5-[(3S,4R)-4-propylpyrrolidin-3-yl]pyrazole
CID 125449459
1-methyl-5-[(3S,4S)-4-propylpyrrolidin-3-yl]pyrazole
CID 125449442
5-(2-ethylpyrrolidin-3-yl)-1-methylpyrazole
CID 114554261
2-(2-methylpyrazol-3-yl)cyclohexan-1-amine
CID 63961612
N-[[2-(2-methylpyrazol-3-yl)cyclopentyl]methyl]propan-1-amine
CID 81033039
5-methyl-3-[(3R,4R)-4-propylpyrrolidin-3-yl]-1H-pyrazole
CID 125449576
2,2-dimethyl-6-(2-methylpyrazol-3-yl)piperazine
CID 112545717
2-(2-methylpyrazol-3-yl)-1,4-oxazepane
CID 130791824
4-(2-ethylpyrazol-3-yl)pyrrolidine-3-carboxylic acid
CID 114557609
N-[[2-(2-methylpyrazol-3-yl)cycloheptyl]methyl]cyclopropanamine
CID 81025720
2-butan-2-yl-1-[2-(2-methylpyrazol-3-yl)ethyl]-5-propylpiperazine
CID 103016284
2-methyl-5-(2-methylpyrazol-3-yl)morpholine
CID 112545562

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(3R,4S)-4-propylpyrrolidin-3-yl]pyrazole?
The IUPAC name of 1-methyl-5-[(3R,4S)-4-propylpyrrolidin-3-yl]pyrazole (CID 125449460) is 1-methyl-5-[(3R,4S)-4-propylpyrrolidin-3-yl]pyrazole.
What is the SMILES notation for 1-methyl-5-[(3R,4S)-4-propylpyrrolidin-3-yl]pyrazole?
The canonical SMILES for 1-methyl-5-[(3R,4S)-4-propylpyrrolidin-3-yl]pyrazole is CCC[C@@H]1CNC[C@@H]1c1ccnn1C.
What is the InChIKey of 1-methyl-5-[(3R,4S)-4-propylpyrrolidin-3-yl]pyrazole?
The InChIKey is BKWNXFNRPOXKSK-ZJUUUORDSA-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-[(3R,4S)-4-propylpyrrolidin-3-yl]pyrazole?
1-methyl-5-[(3R,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-[(3R,4S)-4-propylpyrrolidin-3-yl]pyrazole is sourced from PubChem (CID 125449460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).