1-methyl-3-[(3S)-4-methyloxolan-3-yl]oxypyrazol-4-amine

C9H15N3O2 — CID 166528044

IUPAC1-methyl-3-[(3S)-4-methyloxolan-3-yl]oxypyrazol-4-amine
SMILESCC1COC[C@H]1Oc1nn(C)cc1N
InChIInChI=1S/C9H15N3O2/c1-6-4-13-5-8(6)14-9-7(10)3-12(2)11-9/h3,6,8H,4-5,10H2,1-2H3/t6?,8-/m1/s1
InChIKeyGZORKGNTTGXOSJ-QFSRMBNQSA-N
MW197.24 g/mol
LogP0.42
Rot. Bonds2

About 1-methyl-3-[(3S)-4-methyloxolan-3-yl]oxypyrazol-4-amine

1-methyl-3-[(3S)-4-methyloxolan-3-yl]oxypyrazol-4-amine (PubChem CID 166528044) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 1-methyl-3-[(3S)-4-methyloxolan-3-yl]oxypyrazol-4-amine.

Molecular Properties

Compound Name1-methyl-3-[(3S)-4-methyloxolan-3-yl]oxypyrazol-4-amine
PubChem CID166528044
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name1-methyl-3-[(3S)-4-methyloxolan-3-yl]oxypyrazol-4-amine
SMILESCC1COC[C@H]1Oc1nn(C)cc1N
InChIInChI=1S/C9H15N3O2/c1-6-4-13-5-8(6)14-9-7(10)3-12(2)11-9/h3,6,8H,4-5,10H2,1-2H3/t6?,8-/m1/s1
InChIKeyGZORKGNTTGXOSJ-QFSRMBNQSA-N
XLogP0.42
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(3S)-4-methyloxolan-3-yl]oxypyrazol-4-amine?
The IUPAC name of 1-methyl-3-[(3S)-4-methyloxolan-3-yl]oxypyrazol-4-amine (CID 166528044) is 1-methyl-3-[(3S)-4-methyloxolan-3-yl]oxypyrazol-4-amine.
What is the SMILES notation for 1-methyl-3-[(3S)-4-methyloxolan-3-yl]oxypyrazol-4-amine?
The canonical SMILES for 1-methyl-3-[(3S)-4-methyloxolan-3-yl]oxypyrazol-4-amine is CC1COC[C@H]1Oc1nn(C)cc1N.
What is the InChIKey of 1-methyl-3-[(3S)-4-methyloxolan-3-yl]oxypyrazol-4-amine?
The InChIKey is GZORKGNTTGXOSJ-QFSRMBNQSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-6-4-13-5-8(6)14-9-7(10)3-12(2)11-9/h3,6,8H,4-5,10H2,1-2H3/t6?,8-/m1/s1.
What are the key properties of 1-methyl-3-[(3S)-4-methyloxolan-3-yl]oxypyrazol-4-amine?
1-methyl-3-[(3S)-4-methyloxolan-3-yl]oxypyrazol-4-amine has a molecular weight of 197.24 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 1-methyl-3-[(3S)-4-methyloxolan-3-yl]oxypyrazol-4-amine is sourced from PubChem (CID 166528044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).