5-amino-1-[(2S)-2-methyloxan-4-yl]pyrazole-4-carbonitrile

C10H14N4O — CID 58216773

IUPAC5-amino-1-[(2S)-2-methyloxan-4-yl]pyrazole-4-carbonitrile
SMILESC[C@H]1CC(n2ncc(C#N)c2N)CCO1
InChIInChI=1S/C10H14N4O/c1-7-4-9(2-3-15-7)14-10(12)8(5-11)6-13-14/h6-7,9H,2-4,12H2,1H3/t7-,9?/m0/s1
InChIKeyWVXGEIRTIPVBEX-JAVCKPHESA-N
MW206.25 g/mol
LogP1.08
Rot. Bonds1

About 5-amino-1-[(2S)-2-methyloxan-4-yl]pyrazole-4-carbonitrile

5-amino-1-[(2S)-2-methyloxan-4-yl]pyrazole-4-carbonitrile (PubChem CID 58216773) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 5-amino-1-[(2S)-2-methyloxan-4-yl]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-[(2S)-2-methyloxan-4-yl]pyrazole-4-carbonitrile
PubChem CID58216773
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name5-amino-1-[(2S)-2-methyloxan-4-yl]pyrazole-4-carbonitrile
SMILESC[C@H]1CC(n2ncc(C#N)c2N)CCO1
InChIInChI=1S/C10H14N4O/c1-7-4-9(2-3-15-7)14-10(12)8(5-11)6-13-14/h6-7,9H,2-4,12H2,1H3/t7-,9?/m0/s1
InChIKeyWVXGEIRTIPVBEX-JAVCKPHESA-N
XLogP1.08
TPSA76.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[(2S)-2-methyloxan-4-yl]pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-[(2S)-2-methyloxan-4-yl]pyrazole-4-carbonitrile (CID 58216773) is 5-amino-1-[(2S)-2-methyloxan-4-yl]pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-[(2S)-2-methyloxan-4-yl]pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-[(2S)-2-methyloxan-4-yl]pyrazole-4-carbonitrile is C[C@H]1CC(n2ncc(C#N)c2N)CCO1.
What is the InChIKey of 5-amino-1-[(2S)-2-methyloxan-4-yl]pyrazole-4-carbonitrile?
The InChIKey is WVXGEIRTIPVBEX-JAVCKPHESA-N. The full InChI is InChI=1S/C10H14N4O/c1-7-4-9(2-3-15-7)14-10(12)8(5-11)6-13-14/h6-7,9H,2-4,12H2,1H3/t7-,9?/m0/s1.
What are the key properties of 5-amino-1-[(2S)-2-methyloxan-4-yl]pyrazole-4-carbonitrile?
5-amino-1-[(2S)-2-methyloxan-4-yl]pyrazole-4-carbonitrile has a molecular weight of 206.25 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[(2S)-2-methyloxan-4-yl]pyrazole-4-carbonitrile is sourced from PubChem (CID 58216773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).