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

C11H19N3 — CID 125449576

IUPAC5-methyl-3-[(3R,4R)-4-propylpyrrolidin-3-yl]-1H-pyrazole
SMILESCCC[C@H]1CNC[C@@H]1c1cc(C)[nH]n1
InChIInChI=1S/C11H19N3/c1-3-4-9-6-12-7-10(9)11-5-8(2)13-14-11/h5,9-10,12H,3-4,6-7H2,1-2H3,(H,13,14)/t9-,10-/m0/s1
InChIKeyCWRXUZQKAGUGIB-UWVGGRQHSA-N
MW193.29 g/mol
LogP1.82
Rot. Bonds3

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

5-methyl-3-[(3R,4R)-4-propylpyrrolidin-3-yl]-1H-pyrazole (PubChem CID 125449576) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 5-methyl-3-[(3R,4R)-4-propylpyrrolidin-3-yl]-1H-pyrazole.

Molecular Properties

Compound Name5-methyl-3-[(3R,4R)-4-propylpyrrolidin-3-yl]-1H-pyrazole
PubChem CID125449576
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name5-methyl-3-[(3R,4R)-4-propylpyrrolidin-3-yl]-1H-pyrazole
SMILESCCC[C@H]1CNC[C@@H]1c1cc(C)[nH]n1
InChIInChI=1S/C11H19N3/c1-3-4-9-6-12-7-10(9)11-5-8(2)13-14-11/h5,9-10,12H,3-4,6-7H2,1-2H3,(H,13,14)/t9-,10-/m0/s1
InChIKeyCWRXUZQKAGUGIB-UWVGGRQHSA-N
XLogP1.82
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[(3R,4R)-4-propylpyrrolidin-3-yl]-1H-pyrazole?
The IUPAC name of 5-methyl-3-[(3R,4R)-4-propylpyrrolidin-3-yl]-1H-pyrazole (CID 125449576) is 5-methyl-3-[(3R,4R)-4-propylpyrrolidin-3-yl]-1H-pyrazole.
What is the SMILES notation for 5-methyl-3-[(3R,4R)-4-propylpyrrolidin-3-yl]-1H-pyrazole?
The canonical SMILES for 5-methyl-3-[(3R,4R)-4-propylpyrrolidin-3-yl]-1H-pyrazole is CCC[C@H]1CNC[C@@H]1c1cc(C)[nH]n1.
What is the InChIKey of 5-methyl-3-[(3R,4R)-4-propylpyrrolidin-3-yl]-1H-pyrazole?
The InChIKey is CWRXUZQKAGUGIB-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H19N3/c1-3-4-9-6-12-7-10(9)11-5-8(2)13-14-11/h5,9-10,12H,3-4,6-7H2,1-2H3,(H,13,14)/t9-,10-/m0/s1.
What are the key properties of 5-methyl-3-[(3R,4R)-4-propylpyrrolidin-3-yl]-1H-pyrazole?
5-methyl-3-[(3R,4R)-4-propylpyrrolidin-3-yl]-1H-pyrazole has a molecular weight of 193.29 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[(3R,4R)-4-propylpyrrolidin-3-yl]-1H-pyrazole is sourced from PubChem (CID 125449576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).