5-amino-3-methyl-1-[[(3R)-oxolan-3-yl]methyl]pyrazole-4-carbonitrile

C10H14N4O — CID 97226136

IUPAC5-amino-3-methyl-1-[[(3R)-oxolan-3-yl]methyl]pyrazole-4-carbonitrile
SMILESCc1nn(C[C@H]2CCOC2)c(N)c1C#N
InChIInChI=1S/C10H14N4O/c1-7-9(4-11)10(12)14(13-7)5-8-2-3-15-6-8/h8H,2-3,5-6,12H2,1H3/t8-/m1/s1
InChIKeyXDRVIWJUSXKLLU-MRVPVSSYSA-N
MW206.25 g/mol
LogP0.68
Rot. Bonds2

About 5-amino-3-methyl-1-[[(3R)-oxolan-3-yl]methyl]pyrazole-4-carbonitrile

5-amino-3-methyl-1-[[(3R)-oxolan-3-yl]methyl]pyrazole-4-carbonitrile (PubChem CID 97226136) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 5-amino-3-methyl-1-[[(3R)-oxolan-3-yl]methyl]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-methyl-1-[[(3R)-oxolan-3-yl]methyl]pyrazole-4-carbonitrile
PubChem CID97226136
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name5-amino-3-methyl-1-[[(3R)-oxolan-3-yl]methyl]pyrazole-4-carbonitrile
SMILESCc1nn(C[C@H]2CCOC2)c(N)c1C#N
InChIInChI=1S/C10H14N4O/c1-7-9(4-11)10(12)14(13-7)5-8-2-3-15-6-8/h8H,2-3,5-6,12H2,1H3/t8-/m1/s1
InChIKeyXDRVIWJUSXKLLU-MRVPVSSYSA-N
XLogP0.68
TPSA76.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-methyl-1-[[(3R)-oxolan-3-yl]methyl]pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-methyl-1-[[(3R)-oxolan-3-yl]methyl]pyrazole-4-carbonitrile (CID 97226136) is 5-amino-3-methyl-1-[[(3R)-oxolan-3-yl]methyl]pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-methyl-1-[[(3R)-oxolan-3-yl]methyl]pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-methyl-1-[[(3R)-oxolan-3-yl]methyl]pyrazole-4-carbonitrile is Cc1nn(C[C@H]2CCOC2)c(N)c1C#N.
What is the InChIKey of 5-amino-3-methyl-1-[[(3R)-oxolan-3-yl]methyl]pyrazole-4-carbonitrile?
The InChIKey is XDRVIWJUSXKLLU-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-7-9(4-11)10(12)14(13-7)5-8-2-3-15-6-8/h8H,2-3,5-6,12H2,1H3/t8-/m1/s1.
What are the key properties of 5-amino-3-methyl-1-[[(3R)-oxolan-3-yl]methyl]pyrazole-4-carbonitrile?
5-amino-3-methyl-1-[[(3R)-oxolan-3-yl]methyl]pyrazole-4-carbonitrile has a molecular weight of 206.25 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-methyl-1-[[(3R)-oxolan-3-yl]methyl]pyrazole-4-carbonitrile is sourced from PubChem (CID 97226136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).