3-chloro-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C10H11ClN4O2 — CID 2980781

IUPAC3-chloro-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOCCNC(=O)c1nn2cccnc2c1Cl
InChIInChI=1S/C10H11ClN4O2/c1-17-6-4-13-10(16)8-7(11)9-12-3-2-5-15(9)14-8/h2-3,5H,4,6H2,1H3,(H,13,16)
InChIKeyQVNARIRNKKTOHO-UHFFFAOYSA-N
MW254.68 g/mol
LogP0.76
Rot. Bonds4

About 3-chloro-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

3-chloro-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 2980781) has the molecular formula C10H11ClN4O2 and a molecular weight of 254.68 g/mol. Its IUPAC name is 3-chloro-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID2980781
Molecular FormulaC10H11ClN4O2
Molecular Weight254.68 g/mol
Exact Mass254.06
IUPAC Name3-chloro-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOCCNC(=O)c1nn2cccnc2c1Cl
InChIInChI=1S/C10H11ClN4O2/c1-17-6-4-13-10(16)8-7(11)9-12-3-2-5-15(9)14-8/h2-3,5H,4,6H2,1H3,(H,13,16)
InChIKeyQVNARIRNKKTOHO-UHFFFAOYSA-N
XLogP0.76
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.68
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 3-chloro-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 2980781) is 3-chloro-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 3-chloro-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is COCCNC(=O)c1nn2cccnc2c1Cl.
What is the InChIKey of 3-chloro-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is QVNARIRNKKTOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O2/c1-17-6-4-13-10(16)8-7(11)9-12-3-2-5-15(9)14-8/h2-3,5H,4,6H2,1H3,(H,13,16).
What are the key properties of 3-chloro-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
3-chloro-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 254.68 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 2980781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).