N-(dimethylaminomethylidene)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C10H11N5O — CID 54497154

IUPACN-(dimethylaminomethylidene)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C)/C=N/C(=O)c1cnn2cccnc12
InChIInChI=1S/C10H11N5O/c1-14(2)7-12-10(16)8-6-13-15-5-3-4-11-9(8)15/h3-7H,1-2H3/b12-7+
InChIKeyXZWYDZFLPHQACV-KPKJPENVSA-N
MW217.23 g/mol
LogP0.46
Rot. Bonds2

About N-(dimethylaminomethylidene)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(dimethylaminomethylidene)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 54497154) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is N-(dimethylaminomethylidene)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(dimethylaminomethylidene)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID54497154
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC NameN-(dimethylaminomethylidene)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C)/C=N/C(=O)c1cnn2cccnc12
InChIInChI=1S/C10H11N5O/c1-14(2)7-12-10(16)8-6-13-15-5-3-4-11-9(8)15/h3-7H,1-2H3/b12-7+
InChIKeyXZWYDZFLPHQACV-KPKJPENVSA-N
XLogP0.46
TPSA62.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(dimethylaminomethylidene)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(dimethylaminomethylidene)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 54497154) is N-(dimethylaminomethylidene)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(dimethylaminomethylidene)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(dimethylaminomethylidene)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN(C)/C=N/C(=O)c1cnn2cccnc12.
What is the InChIKey of N-(dimethylaminomethylidene)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is XZWYDZFLPHQACV-KPKJPENVSA-N. The full InChI is InChI=1S/C10H11N5O/c1-14(2)7-12-10(16)8-6-13-15-5-3-4-11-9(8)15/h3-7H,1-2H3/b12-7+.
What are the key properties of N-(dimethylaminomethylidene)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(dimethylaminomethylidene)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 217.23 g/mol, XLogP of 0.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dimethylaminomethylidene)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 54497154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).