(3S)-4-(3-methylpyrazol-1-yl)oxolan-3-ol

C8H12N2O2 — CID 126672443

IUPAC(3S)-4-(3-methylpyrazol-1-yl)oxolan-3-ol
SMILESCc1ccn(C2COC[C@H]2O)n1
InChIInChI=1S/C8H12N2O2/c1-6-2-3-10(9-6)7-4-12-5-8(7)11/h2-3,7-8,11H,4-5H2,1H3/t7?,8-/m1/s1
InChIKeyKFQRVKONAVEDKI-BRFYHDHCSA-N
MW168.20 g/mol
LogP0.12
Rot. Bonds1

About (3S)-4-(3-methylpyrazol-1-yl)oxolan-3-ol

(3S)-4-(3-methylpyrazol-1-yl)oxolan-3-ol (PubChem CID 126672443) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is (3S)-4-(3-methylpyrazol-1-yl)oxolan-3-ol.

Molecular Properties

Compound Name(3S)-4-(3-methylpyrazol-1-yl)oxolan-3-ol
PubChem CID126672443
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name(3S)-4-(3-methylpyrazol-1-yl)oxolan-3-ol
SMILESCc1ccn(C2COC[C@H]2O)n1
InChIInChI=1S/C8H12N2O2/c1-6-2-3-10(9-6)7-4-12-5-8(7)11/h2-3,7-8,11H,4-5H2,1H3/t7?,8-/m1/s1
InChIKeyKFQRVKONAVEDKI-BRFYHDHCSA-N
XLogP0.12
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-4-(3-methylpyrazol-1-yl)oxolan-3-ol?
The IUPAC name of (3S)-4-(3-methylpyrazol-1-yl)oxolan-3-ol (CID 126672443) is (3S)-4-(3-methylpyrazol-1-yl)oxolan-3-ol.
What is the SMILES notation for (3S)-4-(3-methylpyrazol-1-yl)oxolan-3-ol?
The canonical SMILES for (3S)-4-(3-methylpyrazol-1-yl)oxolan-3-ol is Cc1ccn(C2COC[C@H]2O)n1.
What is the InChIKey of (3S)-4-(3-methylpyrazol-1-yl)oxolan-3-ol?
The InChIKey is KFQRVKONAVEDKI-BRFYHDHCSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-6-2-3-10(9-6)7-4-12-5-8(7)11/h2-3,7-8,11H,4-5H2,1H3/t7?,8-/m1/s1.
What are the key properties of (3S)-4-(3-methylpyrazol-1-yl)oxolan-3-ol?
(3S)-4-(3-methylpyrazol-1-yl)oxolan-3-ol has a molecular weight of 168.20 g/mol, XLogP of 0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-(3-methylpyrazol-1-yl)oxolan-3-ol is sourced from PubChem (CID 126672443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).