4-amino-1-(2-cyano-3-pyridinyl)pyrazole-3-carboxamide

C10H8N6O — CID 107346407

IUPAC4-amino-1-(2-cyano-3-pyridinyl)pyrazole-3-carboxamide
SMILESN#Cc1ncccc1-n1cc(N)c(C(N)=O)n1
InChIInChI=1S/C10H8N6O/c11-4-7-8(2-1-3-14-7)16-5-6(12)9(15-16)10(13)17/h1-3,5H,12H2,(H2,13,17)
InChIKeyCNILBXZUFXYYRT-UHFFFAOYSA-N
MW228.22 g/mol
LogP-0.18
Rot. Bonds2

About 4-amino-1-(2-cyano-3-pyridinyl)pyrazole-3-carboxamide

4-amino-1-(2-cyano-3-pyridinyl)pyrazole-3-carboxamide (PubChem CID 107346407) has the molecular formula C10H8N6O and a molecular weight of 228.22 g/mol. Its IUPAC name is 4-amino-1-(2-cyano-3-pyridinyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-(2-cyano-3-pyridinyl)pyrazole-3-carboxamide
PubChem CID107346407
Molecular FormulaC10H8N6O
Molecular Weight228.22 g/mol
Exact Mass228.08
IUPAC Name4-amino-1-(2-cyano-3-pyridinyl)pyrazole-3-carboxamide
SMILESN#Cc1ncccc1-n1cc(N)c(C(N)=O)n1
InChIInChI=1S/C10H8N6O/c11-4-7-8(2-1-3-14-7)16-5-6(12)9(15-16)10(13)17/h1-3,5H,12H2,(H2,13,17)
InChIKeyCNILBXZUFXYYRT-UHFFFAOYSA-N
XLogP-0.18
TPSA123.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-cyano-3-pyridinyl)pyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-(2-cyano-3-pyridinyl)pyrazole-3-carboxamide (CID 107346407) is 4-amino-1-(2-cyano-3-pyridinyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-(2-cyano-3-pyridinyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-(2-cyano-3-pyridinyl)pyrazole-3-carboxamide is N#Cc1ncccc1-n1cc(N)c(C(N)=O)n1.
What is the InChIKey of 4-amino-1-(2-cyano-3-pyridinyl)pyrazole-3-carboxamide?
The InChIKey is CNILBXZUFXYYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N6O/c11-4-7-8(2-1-3-14-7)16-5-6(12)9(15-16)10(13)17/h1-3,5H,12H2,(H2,13,17).
What are the key properties of 4-amino-1-(2-cyano-3-pyridinyl)pyrazole-3-carboxamide?
4-amino-1-(2-cyano-3-pyridinyl)pyrazole-3-carboxamide has a molecular weight of 228.22 g/mol, XLogP of -0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-cyano-3-pyridinyl)pyrazole-3-carboxamide is sourced from PubChem (CID 107346407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).