1-(3-amino-5-cyano-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide

C12H12N6O — CID 103469399

IUPAC1-(3-amino-5-cyano-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide
SMILESCN(C)C(=O)c1ccn(-c2ncc(C#N)cc2N)n1
InChIInChI=1S/C12H12N6O/c1-17(2)12(19)10-3-4-18(16-10)11-9(14)5-8(6-13)7-15-11/h3-5,7H,14H2,1-2H3
InChIKeyICDGCFNXBBASQH-UHFFFAOYSA-N
MW256.27 g/mol
LogP0.42
Rot. Bonds2

About 1-(3-amino-5-cyano-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide

1-(3-amino-5-cyano-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide (PubChem CID 103469399) has the molecular formula C12H12N6O and a molecular weight of 256.27 g/mol. Its IUPAC name is 1-(3-amino-5-cyano-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-amino-5-cyano-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide
PubChem CID103469399
Molecular FormulaC12H12N6O
Molecular Weight256.27 g/mol
Exact Mass256.11
IUPAC Name1-(3-amino-5-cyano-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide
SMILESCN(C)C(=O)c1ccn(-c2ncc(C#N)cc2N)n1
InChIInChI=1S/C12H12N6O/c1-17(2)12(19)10-3-4-18(16-10)11-9(14)5-8(6-13)7-15-11/h3-5,7H,14H2,1-2H3
InChIKeyICDGCFNXBBASQH-UHFFFAOYSA-N
XLogP0.42
TPSA100.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-amino-3-cyanophenyl)-N,N-dimethylpyrazole-3-carboxamide
CID 115499714
1-(5-amino-3-bromo-4-methyl-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide
CID 104507196
1-(4-amino-2-cyanophenyl)-N,N-dimethylpyrazole-3-carboxamide
CID 64780550
1-(5-chloro-3-fluoro-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide
CID 79727906
1-(4-cyanopyridazin-3-yl)-N,N-dimethylpyrazole-3-carboxamide
CID 80509952
1-(7-aminoquinazolin-4-yl)-N,N-dimethylpyrazole-3-carboxamide
CID 65336223
1-(2-amino-4-methylphenyl)-N,N-dimethylpyrazole-3-carboxamide
CID 64780746
1-(4-amino-3-methoxyphenyl)-N,N-dimethylpyrazole-3-carboxamide
CID 64781320
1-(2-amino-4-fluorophenyl)-N,N-dimethylpyrazole-3-carboxamide
CID 64782079
1-(2-amino-5-bromophenyl)-N,N-dimethylpyrazole-3-carboxamide
CID 65342316
1-(4-chloro-2-cyanophenyl)-N,N-dimethylpyrazole-3-carboxamide
CID 64780954
1-(3-amino-5-bromo-2-pyridinyl)pyrazole-3-carboxamide
CID 64780351

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-5-cyano-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide?
The IUPAC name of 1-(3-amino-5-cyano-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide (CID 103469399) is 1-(3-amino-5-cyano-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(3-amino-5-cyano-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 1-(3-amino-5-cyano-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide is CN(C)C(=O)c1ccn(-c2ncc(C#N)cc2N)n1.
What is the InChIKey of 1-(3-amino-5-cyano-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide?
The InChIKey is ICDGCFNXBBASQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O/c1-17(2)12(19)10-3-4-18(16-10)11-9(14)5-8(6-13)7-15-11/h3-5,7H,14H2,1-2H3.
What are the key properties of 1-(3-amino-5-cyano-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide?
1-(3-amino-5-cyano-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide has a molecular weight of 256.27 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-5-cyano-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 103469399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).