5-amino-1-(3-methyloxan-4-yl)pyrazole-4-carbonitrile

C10H14N4O — CID 76705563

IUPAC5-amino-1-(3-methyloxan-4-yl)pyrazole-4-carbonitrile
SMILESCC1COCCC1n1ncc(C#N)c1N
InChIInChI=1S/C10H14N4O/c1-7-6-15-3-2-9(7)14-10(12)8(4-11)5-13-14/h5,7,9H,2-3,6,12H2,1H3
InChIKeyDADQGVSGGANJCE-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.93
Rot. Bonds1

About 5-amino-1-(3-methyloxan-4-yl)pyrazole-4-carbonitrile

5-amino-1-(3-methyloxan-4-yl)pyrazole-4-carbonitrile (PubChem CID 76705563) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 5-amino-1-(3-methyloxan-4-yl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-(3-methyloxan-4-yl)pyrazole-4-carbonitrile
PubChem CID76705563
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name5-amino-1-(3-methyloxan-4-yl)pyrazole-4-carbonitrile
SMILESCC1COCCC1n1ncc(C#N)c1N
InChIInChI=1S/C10H14N4O/c1-7-6-15-3-2-9(7)14-10(12)8(4-11)5-13-14/h5,7,9H,2-3,6,12H2,1H3
InChIKeyDADQGVSGGANJCE-UHFFFAOYSA-N
XLogP0.93
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 ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Amino-1-(tetrahydro-pyran-4-yl)-1H-pyrazole-4-carbonitrile
CID 42609130
5-amino-1-(2-morpholinoethyl)-1H-pyrazole-4-carbonitrile
CID 10560939
5-Amino-1-(tetrahydro-2,2-dimethyl-2h-pyran-4-yl)-1h-pyrazole-4-carbonitrile
CID 13431670
5-Amino-1-pentan-3-ylpyrazole-4-carbonitrile
CID 17960367
5-amino-1-(tetrahydrofuran-3-yl)-1H-pyrazole-4-carbonitrile
CID 42609121
5-amino-1-[(3R,4R)-3-methyloxan-4-yl]pyrazole-4-carbonitrile
CID 58216665
5-Amino-1-(tetrahydro-2h-pyran-3-yl)-1h-pyrazole-4-carbonitrile
CID 58216717
5-amino-1-[(2R)-2-methyloxan-4-yl]pyrazole-4-carbonitrile
CID 58216752
5-amino-1-[(3S,4R)-3-methyloxan-4-yl]pyrazole-4-carboxamide
CID 58216768
5-amino-1-[(2S)-2-methyloxan-4-yl]pyrazole-4-carbonitrile
CID 58216773
5-amino-1-[(3S,4R)-3-methyloxan-4-yl]pyrazole-4-carbonitrile
CID 58216861
5-amino-1-[(3R,4R)-3-methyloxan-4-yl]pyrazole-4-carboxamide
CID 58216902

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(3-methyloxan-4-yl)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-(3-methyloxan-4-yl)pyrazole-4-carbonitrile (CID 76705563) is 5-amino-1-(3-methyloxan-4-yl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-(3-methyloxan-4-yl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-(3-methyloxan-4-yl)pyrazole-4-carbonitrile is CC1COCCC1n1ncc(C#N)c1N.
What is the InChIKey of 5-amino-1-(3-methyloxan-4-yl)pyrazole-4-carbonitrile?
The InChIKey is DADQGVSGGANJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-7-6-15-3-2-9(7)14-10(12)8(4-11)5-13-14/h5,7,9H,2-3,6,12H2,1H3.
What are the key properties of 5-amino-1-(3-methyloxan-4-yl)pyrazole-4-carbonitrile?
5-amino-1-(3-methyloxan-4-yl)pyrazole-4-carbonitrile has a molecular weight of 206.25 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(3-methyloxan-4-yl)pyrazole-4-carbonitrile is sourced from PubChem (CID 76705563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).