lithium 2-[5-(5-amino-4-cyano-1-propan-2-ylpyrazol-3-yl)-2-pyridinyl]acetate

C14H14LiN5O2 — CID 164765566

IUPAClithium 2-[5-(5-amino-4-cyano-1-propan-2-ylpyrazol-3-yl)-2-pyridinyl]acetate
SMILESCC(C)n1nc(-c2ccc(CC(=O)[O-])nc2)c(C#N)c1N.[Li+]
InChIInChI=1S/C14H15N5O2.Li/c1-8(2)19-14(16)11(6-15)13(18-19)9-3-4-10(17-7-9)5-12(20)21;/h3-4,7-8H,5,16H2,1-2H3,(H,20,21);/q;+1/p-1
InChIKeySTJIQNPUGWNNPZ-UHFFFAOYSA-M
MW291.24 g/mol
LogP-2.72
Rot. Bonds4

About lithium 2-[5-(5-amino-4-cyano-1-propan-2-ylpyrazol-3-yl)-2-pyridinyl]acetate

lithium 2-[5-(5-amino-4-cyano-1-propan-2-ylpyrazol-3-yl)-2-pyridinyl]acetate (PubChem CID 164765566) has the molecular formula C14H14LiN5O2 and a molecular weight of 291.24 g/mol. Its IUPAC name is lithium 2-[5-(5-amino-4-cyano-1-propan-2-ylpyrazol-3-yl)-2-pyridinyl]acetate.

Molecular Properties

Compound Namelithium 2-[5-(5-amino-4-cyano-1-propan-2-ylpyrazol-3-yl)-2-pyridinyl]acetate
PubChem CID164765566
Molecular FormulaC14H14LiN5O2
Molecular Weight291.24 g/mol
Exact Mass291.13
IUPAC Namelithium 2-[5-(5-amino-4-cyano-1-propan-2-ylpyrazol-3-yl)-2-pyridinyl]acetate
SMILESCC(C)n1nc(-c2ccc(CC(=O)[O-])nc2)c(C#N)c1N.[Li+]
InChIInChI=1S/C14H15N5O2.Li/c1-8(2)19-14(16)11(6-15)13(18-19)9-3-4-10(17-7-9)5-12(20)21;/h3-4,7-8H,5,16H2,1-2H3,(H,20,21);/q;+1/p-1
InChIKeySTJIQNPUGWNNPZ-UHFFFAOYSA-M
XLogP-2.72
TPSA120.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.24
LogP ≤ 5-2.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(5-amino-4-cyano-1-propan-2-ylpyrazol-3-yl)phenyl]-N-[5-(2-methylbutan-2-yl)-1,2-oxazol-3-yl]acetamide
CID 163292153
5-amino-3-(4-bromophenyl)-1-(1-hydroxypropan-2-yl)pyrazole-4-carbonitrile
CID 129248353
2-[4-[5-amino-4-cyano-1-(1,1,1-trifluoropropan-2-yl)pyrazol-3-yl]phenyl]propanoic acid
CID 162485531
2-[4-(5-amino-4-cyano-1-propan-2-ylpyrazol-3-yl)-2,3-difluorophenyl]-N-[3-(3-methylbut-3-enyl)-1,2-oxazol-5-yl]acetamide
CID 167059281
2-[4-(5-amino-4-cyano-1-propan-2-ylpyrazol-3-yl)phenyl]-N-[3-(4-fluoro-1-bicyclo[2.2.2]octanyl)-1,2-oxazol-5-yl]acetamide
CID 163291900
4-cyano-3-(4-cyanophenyl)-N-ethyl-1-propan-2-ylpyrazole-5-carboxamide
CID 45111454
5-amino-1-(1-bromo-1,1-difluoropropan-2-yl)-3-(4-bromophenyl)pyrazole-4-carbonitrile
CID 162485697
5-amino-3-[(4-fluorophenyl)methoxy]-1-propan-2-ylpyrazole-4-carbonitrile
CID 100762355
5-amino-3-(4-bromo-2-fluorophenyl)-1-propan-2-ylpyrazole-4-carbonitrile
CID 90075770
potassium 2-(5-methyl-2-pyridinyl)acetate
CID 118988837
5-amino-3-[6-[4-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-3-oxobutan-2-yl]-3-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 163514089
2-[6-(5-amino-4-cyano-1-propan-2-ylpyrazol-3-yl)-3-pyridinyl]-N-[5-(3,3-difluoro-2-methylbutan-2-yl)-1,2-oxazol-3-yl]propanamide
CID 162485577

Frequently Asked Questions

What is the IUPAC name of lithium 2-[5-(5-amino-4-cyano-1-propan-2-ylpyrazol-3-yl)-2-pyridinyl]acetate?
The IUPAC name of lithium 2-[5-(5-amino-4-cyano-1-propan-2-ylpyrazol-3-yl)-2-pyridinyl]acetate (CID 164765566) is lithium 2-[5-(5-amino-4-cyano-1-propan-2-ylpyrazol-3-yl)-2-pyridinyl]acetate.
What is the SMILES notation for lithium 2-[5-(5-amino-4-cyano-1-propan-2-ylpyrazol-3-yl)-2-pyridinyl]acetate?
The canonical SMILES for lithium 2-[5-(5-amino-4-cyano-1-propan-2-ylpyrazol-3-yl)-2-pyridinyl]acetate is CC(C)n1nc(-c2ccc(CC(=O)[O-])nc2)c(C#N)c1N.[Li+].
What is the InChIKey of lithium 2-[5-(5-amino-4-cyano-1-propan-2-ylpyrazol-3-yl)-2-pyridinyl]acetate?
The InChIKey is STJIQNPUGWNNPZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H15N5O2.Li/c1-8(2)19-14(16)11(6-15)13(18-19)9-3-4-10(17-7-9)5-12(20)21;/h3-4,7-8H,5,16H2,1-2H3,(H,20,21);/q;+1/p-1.
What are the key properties of lithium 2-[5-(5-amino-4-cyano-1-propan-2-ylpyrazol-3-yl)-2-pyridinyl]acetate?
lithium 2-[5-(5-amino-4-cyano-1-propan-2-ylpyrazol-3-yl)-2-pyridinyl]acetate has a molecular weight of 291.24 g/mol, XLogP of -2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-[5-(5-amino-4-cyano-1-propan-2-ylpyrazol-3-yl)-2-pyridinyl]acetate is sourced from PubChem (CID 164765566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).