2-amino-6-(1-cyanoethyl)-N-[(E)-1-(ethylideneamino)prop-1-en-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C15H17N7O — CID 134574496

IUPAC2-amino-6-(1-cyanoethyl)-N-[(E)-1-(ethylideneamino)prop-1-en-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESC/C=N/C=C(\C)NC(=O)c1c(N)nn2cc(C(C)C#N)cnc12
InChIInChI=1S/C15H17N7O/c1-4-18-6-10(3)20-15(23)12-13(17)21-22-8-11(9(2)5-16)7-19-14(12)22/h4,6-9H,1-3H3,(H2,17,21)(H,20,23)/b10-6+,18-4+
InChIKeyAIWKWIBAWKGQAR-CSJOEGKNSA-N
MW311.35 g/mol
LogP1.62
Rot. Bonds4

About 2-amino-6-(1-cyanoethyl)-N-[(E)-1-(ethylideneamino)prop-1-en-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-6-(1-cyanoethyl)-N-[(E)-1-(ethylideneamino)prop-1-en-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 134574496) has the molecular formula C15H17N7O and a molecular weight of 311.35 g/mol. Its IUPAC name is 2-amino-6-(1-cyanoethyl)-N-[(E)-1-(ethylideneamino)prop-1-en-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-(1-cyanoethyl)-N-[(E)-1-(ethylideneamino)prop-1-en-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID134574496
Molecular FormulaC15H17N7O
Molecular Weight311.35 g/mol
Exact Mass311.15
IUPAC Name2-amino-6-(1-cyanoethyl)-N-[(E)-1-(ethylideneamino)prop-1-en-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESC/C=N/C=C(\C)NC(=O)c1c(N)nn2cc(C(C)C#N)cnc12
InChIInChI=1S/C15H17N7O/c1-4-18-6-10(3)20-15(23)12-13(17)21-22-8-11(9(2)5-16)7-19-14(12)22/h4,6-9H,1-3H3,(H2,17,21)(H,20,23)/b10-6+,18-4+
InChIKeyAIWKWIBAWKGQAR-CSJOEGKNSA-N
XLogP1.62
TPSA121.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(1-cyanoethyl)-N-[(E)-1-(ethylideneamino)prop-1-en-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-6-(1-cyanoethyl)-N-[(E)-1-(ethylideneamino)prop-1-en-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 134574496) is 2-amino-6-(1-cyanoethyl)-N-[(E)-1-(ethylideneamino)prop-1-en-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-6-(1-cyanoethyl)-N-[(E)-1-(ethylideneamino)prop-1-en-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-6-(1-cyanoethyl)-N-[(E)-1-(ethylideneamino)prop-1-en-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is C/C=N/C=C(\C)NC(=O)c1c(N)nn2cc(C(C)C#N)cnc12.
What is the InChIKey of 2-amino-6-(1-cyanoethyl)-N-[(E)-1-(ethylideneamino)prop-1-en-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is AIWKWIBAWKGQAR-CSJOEGKNSA-N. The full InChI is InChI=1S/C15H17N7O/c1-4-18-6-10(3)20-15(23)12-13(17)21-22-8-11(9(2)5-16)7-19-14(12)22/h4,6-9H,1-3H3,(H2,17,21)(H,20,23)/b10-6+,18-4+.
What are the key properties of 2-amino-6-(1-cyanoethyl)-N-[(E)-1-(ethylideneamino)prop-1-en-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-(1-cyanoethyl)-N-[(E)-1-(ethylideneamino)prop-1-en-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 311.35 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(1-cyanoethyl)-N-[(E)-1-(ethylideneamino)prop-1-en-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 134574496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).