1-(2-amino-6-chloropyrimidin-4-yl)-5-ethylpyrazole-4-carbaldehyde

C10H10ClN5O — CID 18520605

IUPAC1-(2-amino-6-chloropyrimidin-4-yl)-5-ethylpyrazole-4-carbaldehyde
SMILESCCc1c(C=O)cnn1-c1cc(Cl)nc(N)n1
InChIInChI=1S/C10H10ClN5O/c1-2-7-6(5-17)4-13-16(7)9-3-8(11)14-10(12)15-9/h3-5H,2H2,1H3,(H2,12,14,15)
InChIKeyAOKQOFUUODSIJK-UHFFFAOYSA-N
MW251.68 g/mol
LogP1.27
Rot. Bonds3

About 1-(2-amino-6-chloropyrimidin-4-yl)-5-ethylpyrazole-4-carbaldehyde

1-(2-amino-6-chloropyrimidin-4-yl)-5-ethylpyrazole-4-carbaldehyde (PubChem CID 18520605) has the molecular formula C10H10ClN5O and a molecular weight of 251.68 g/mol. Its IUPAC name is 1-(2-amino-6-chloropyrimidin-4-yl)-5-ethylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-(2-amino-6-chloropyrimidin-4-yl)-5-ethylpyrazole-4-carbaldehyde
PubChem CID18520605
Molecular FormulaC10H10ClN5O
Molecular Weight251.68 g/mol
Exact Mass251.06
IUPAC Name1-(2-amino-6-chloropyrimidin-4-yl)-5-ethylpyrazole-4-carbaldehyde
SMILESCCc1c(C=O)cnn1-c1cc(Cl)nc(N)n1
InChIInChI=1S/C10H10ClN5O/c1-2-7-6(5-17)4-13-16(7)9-3-8(11)14-10(12)15-9/h3-5H,2H2,1H3,(H2,12,14,15)
InChIKeyAOKQOFUUODSIJK-UHFFFAOYSA-N
XLogP1.27
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.68
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-6-chloropyrimidin-4-yl)-5-ethylpyrazole-4-carbaldehyde?
The IUPAC name of 1-(2-amino-6-chloropyrimidin-4-yl)-5-ethylpyrazole-4-carbaldehyde (CID 18520605) is 1-(2-amino-6-chloropyrimidin-4-yl)-5-ethylpyrazole-4-carbaldehyde.
What is the SMILES notation for 1-(2-amino-6-chloropyrimidin-4-yl)-5-ethylpyrazole-4-carbaldehyde?
The canonical SMILES for 1-(2-amino-6-chloropyrimidin-4-yl)-5-ethylpyrazole-4-carbaldehyde is CCc1c(C=O)cnn1-c1cc(Cl)nc(N)n1.
What is the InChIKey of 1-(2-amino-6-chloropyrimidin-4-yl)-5-ethylpyrazole-4-carbaldehyde?
The InChIKey is AOKQOFUUODSIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5O/c1-2-7-6(5-17)4-13-16(7)9-3-8(11)14-10(12)15-9/h3-5H,2H2,1H3,(H2,12,14,15).
What are the key properties of 1-(2-amino-6-chloropyrimidin-4-yl)-5-ethylpyrazole-4-carbaldehyde?
1-(2-amino-6-chloropyrimidin-4-yl)-5-ethylpyrazole-4-carbaldehyde has a molecular weight of 251.68 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-6-chloropyrimidin-4-yl)-5-ethylpyrazole-4-carbaldehyde is sourced from PubChem (CID 18520605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).