1-propan-2-yl-4-[(3S)-pyrrolidin-3-yl]oxypyrazole

C10H17N3O — CID 104939868

IUPAC1-propan-2-yl-4-[(3S)-pyrrolidin-3-yl]oxypyrazole
SMILESCC(C)n1cc(O[C@H]2CCNC2)cn1
InChIInChI=1S/C10H17N3O/c1-8(2)13-7-10(6-12-13)14-9-3-4-11-5-9/h6-9,11H,3-5H2,1-2H3/t9-/m0/s1
InChIKeyFTNTXQNMMFLQSR-VIFPVBQESA-N
MW195.27 g/mol
LogP1.20
Rot. Bonds3

About 1-propan-2-yl-4-[(3S)-pyrrolidin-3-yl]oxypyrazole

1-propan-2-yl-4-[(3S)-pyrrolidin-3-yl]oxypyrazole (PubChem CID 104939868) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 1-propan-2-yl-4-[(3S)-pyrrolidin-3-yl]oxypyrazole.

Molecular Properties

Compound Name1-propan-2-yl-4-[(3S)-pyrrolidin-3-yl]oxypyrazole
PubChem CID104939868
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name1-propan-2-yl-4-[(3S)-pyrrolidin-3-yl]oxypyrazole
SMILESCC(C)n1cc(O[C@H]2CCNC2)cn1
InChIInChI=1S/C10H17N3O/c1-8(2)13-7-10(6-12-13)14-9-3-4-11-5-9/h6-9,11H,3-5H2,1-2H3/t9-/m0/s1
InChIKeyFTNTXQNMMFLQSR-VIFPVBQESA-N
XLogP1.20
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-[(3S)-pyrrolidin-3-yl]oxypyrazole?
The IUPAC name of 1-propan-2-yl-4-[(3S)-pyrrolidin-3-yl]oxypyrazole (CID 104939868) is 1-propan-2-yl-4-[(3S)-pyrrolidin-3-yl]oxypyrazole.
What is the SMILES notation for 1-propan-2-yl-4-[(3S)-pyrrolidin-3-yl]oxypyrazole?
The canonical SMILES for 1-propan-2-yl-4-[(3S)-pyrrolidin-3-yl]oxypyrazole is CC(C)n1cc(O[C@H]2CCNC2)cn1.
What is the InChIKey of 1-propan-2-yl-4-[(3S)-pyrrolidin-3-yl]oxypyrazole?
The InChIKey is FTNTXQNMMFLQSR-VIFPVBQESA-N. The full InChI is InChI=1S/C10H17N3O/c1-8(2)13-7-10(6-12-13)14-9-3-4-11-5-9/h6-9,11H,3-5H2,1-2H3/t9-/m0/s1.
What are the key properties of 1-propan-2-yl-4-[(3S)-pyrrolidin-3-yl]oxypyrazole?
1-propan-2-yl-4-[(3S)-pyrrolidin-3-yl]oxypyrazole has a molecular weight of 195.27 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-[(3S)-pyrrolidin-3-yl]oxypyrazole is sourced from PubChem (CID 104939868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).