4-methyl-1-[[(3S)-oxolan-3-yl]methyl]pyrazole

C9H14N2O — CID 139401688

IUPAC4-methyl-1-[[(3S)-oxolan-3-yl]methyl]pyrazole
SMILESCc1cnn(C[C@@H]2CCOC2)c1
InChIInChI=1S/C9H14N2O/c1-8-4-10-11(5-8)6-9-2-3-12-7-9/h4-5,9H,2-3,6-7H2,1H3/t9-/m0/s1
InChIKeyCEIFGGBQQAIMQU-VIFPVBQESA-N
MW166.22 g/mol
LogP1.23
Rot. Bonds2

About 4-methyl-1-[[(3S)-oxolan-3-yl]methyl]pyrazole

4-methyl-1-[[(3S)-oxolan-3-yl]methyl]pyrazole (PubChem CID 139401688) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 4-methyl-1-[[(3S)-oxolan-3-yl]methyl]pyrazole.

Molecular Properties

Compound Name4-methyl-1-[[(3S)-oxolan-3-yl]methyl]pyrazole
PubChem CID139401688
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name4-methyl-1-[[(3S)-oxolan-3-yl]methyl]pyrazole
SMILESCc1cnn(C[C@@H]2CCOC2)c1
InChIInChI=1S/C9H14N2O/c1-8-4-10-11(5-8)6-9-2-3-12-7-9/h4-5,9H,2-3,6-7H2,1H3/t9-/m0/s1
InChIKeyCEIFGGBQQAIMQU-VIFPVBQESA-N
XLogP1.23
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[(3S)-oxolan-3-yl]methyl]pyrazole?
The IUPAC name of 4-methyl-1-[[(3S)-oxolan-3-yl]methyl]pyrazole (CID 139401688) is 4-methyl-1-[[(3S)-oxolan-3-yl]methyl]pyrazole.
What is the SMILES notation for 4-methyl-1-[[(3S)-oxolan-3-yl]methyl]pyrazole?
The canonical SMILES for 4-methyl-1-[[(3S)-oxolan-3-yl]methyl]pyrazole is Cc1cnn(C[C@@H]2CCOC2)c1.
What is the InChIKey of 4-methyl-1-[[(3S)-oxolan-3-yl]methyl]pyrazole?
The InChIKey is CEIFGGBQQAIMQU-VIFPVBQESA-N. The full InChI is InChI=1S/C9H14N2O/c1-8-4-10-11(5-8)6-9-2-3-12-7-9/h4-5,9H,2-3,6-7H2,1H3/t9-/m0/s1.
What are the key properties of 4-methyl-1-[[(3S)-oxolan-3-yl]methyl]pyrazole?
4-methyl-1-[[(3S)-oxolan-3-yl]methyl]pyrazole has a molecular weight of 166.22 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[[(3S)-oxolan-3-yl]methyl]pyrazole is sourced from PubChem (CID 139401688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).