3-methyl-1-[(3R)-1-(oxetan-3-yl)pyrrolidin-3-yl]pyrazol-4-amine

C11H18N4O — CID 118365613

IUPAC3-methyl-1-[(3R)-1-(oxetan-3-yl)pyrrolidin-3-yl]pyrazol-4-amine
SMILESCc1nn([C@@H]2CCN(C3COC3)C2)cc1N
InChIInChI=1S/C11H18N4O/c1-8-11(12)5-15(13-8)9-2-3-14(4-9)10-6-16-7-10/h5,9-10H,2-4,6-7,12H2,1H3/t9-/m1/s1
InChIKeyXMVRFAYKXUAHPS-SECBINFHSA-N
MW222.29 g/mol
LogP0.42
Rot. Bonds2

About 3-methyl-1-[(3R)-1-(oxetan-3-yl)pyrrolidin-3-yl]pyrazol-4-amine

3-methyl-1-[(3R)-1-(oxetan-3-yl)pyrrolidin-3-yl]pyrazol-4-amine (PubChem CID 118365613) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-methyl-1-[(3R)-1-(oxetan-3-yl)pyrrolidin-3-yl]pyrazol-4-amine.

Molecular Properties

Compound Name3-methyl-1-[(3R)-1-(oxetan-3-yl)pyrrolidin-3-yl]pyrazol-4-amine
PubChem CID118365613
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name3-methyl-1-[(3R)-1-(oxetan-3-yl)pyrrolidin-3-yl]pyrazol-4-amine
SMILESCc1nn([C@@H]2CCN(C3COC3)C2)cc1N
InChIInChI=1S/C11H18N4O/c1-8-11(12)5-15(13-8)9-2-3-14(4-9)10-6-16-7-10/h5,9-10H,2-4,6-7,12H2,1H3/t9-/m1/s1
InChIKeyXMVRFAYKXUAHPS-SECBINFHSA-N
XLogP0.42
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(3R)-1-(oxetan-3-yl)pyrrolidin-3-yl]pyrazol-4-amine?
The IUPAC name of 3-methyl-1-[(3R)-1-(oxetan-3-yl)pyrrolidin-3-yl]pyrazol-4-amine (CID 118365613) is 3-methyl-1-[(3R)-1-(oxetan-3-yl)pyrrolidin-3-yl]pyrazol-4-amine.
What is the SMILES notation for 3-methyl-1-[(3R)-1-(oxetan-3-yl)pyrrolidin-3-yl]pyrazol-4-amine?
The canonical SMILES for 3-methyl-1-[(3R)-1-(oxetan-3-yl)pyrrolidin-3-yl]pyrazol-4-amine is Cc1nn([C@@H]2CCN(C3COC3)C2)cc1N.
What is the InChIKey of 3-methyl-1-[(3R)-1-(oxetan-3-yl)pyrrolidin-3-yl]pyrazol-4-amine?
The InChIKey is XMVRFAYKXUAHPS-SECBINFHSA-N. The full InChI is InChI=1S/C11H18N4O/c1-8-11(12)5-15(13-8)9-2-3-14(4-9)10-6-16-7-10/h5,9-10H,2-4,6-7,12H2,1H3/t9-/m1/s1.
What are the key properties of 3-methyl-1-[(3R)-1-(oxetan-3-yl)pyrrolidin-3-yl]pyrazol-4-amine?
3-methyl-1-[(3R)-1-(oxetan-3-yl)pyrrolidin-3-yl]pyrazol-4-amine has a molecular weight of 222.29 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(3R)-1-(oxetan-3-yl)pyrrolidin-3-yl]pyrazol-4-amine is sourced from PubChem (CID 118365613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).