4-chloro-1-(6-ethoxypyrimidin-4-yl)pyrazol-3-amine

C9H10ClN5O — CID 66320570

IUPAC4-chloro-1-(6-ethoxypyrimidin-4-yl)pyrazol-3-amine
SMILESCCOc1cc(-n2cc(Cl)c(N)n2)ncn1
InChIInChI=1S/C9H10ClN5O/c1-2-16-8-3-7(12-5-13-8)15-4-6(10)9(11)14-15/h3-5H,2H2,1H3,(H2,11,14)
InChIKeyQCRZOTAQCKKMAK-UHFFFAOYSA-N
MW239.67 g/mol
LogP1.30
Rot. Bonds3

About 4-chloro-1-(6-ethoxypyrimidin-4-yl)pyrazol-3-amine

4-chloro-1-(6-ethoxypyrimidin-4-yl)pyrazol-3-amine (PubChem CID 66320570) has the molecular formula C9H10ClN5O and a molecular weight of 239.67 g/mol. Its IUPAC name is 4-chloro-1-(6-ethoxypyrimidin-4-yl)pyrazol-3-amine.

Molecular Properties

Compound Name4-chloro-1-(6-ethoxypyrimidin-4-yl)pyrazol-3-amine
PubChem CID66320570
Molecular FormulaC9H10ClN5O
Molecular Weight239.67 g/mol
Exact Mass239.06
IUPAC Name4-chloro-1-(6-ethoxypyrimidin-4-yl)pyrazol-3-amine
SMILESCCOc1cc(-n2cc(Cl)c(N)n2)ncn1
InChIInChI=1S/C9H10ClN5O/c1-2-16-8-3-7(12-5-13-8)15-4-6(10)9(11)14-15/h3-5H,2H2,1H3,(H2,11,14)
InChIKeyQCRZOTAQCKKMAK-UHFFFAOYSA-N
XLogP1.30
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.67
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(6-ethoxypyrimidin-4-yl)pyrazol-3-amine?
The IUPAC name of 4-chloro-1-(6-ethoxypyrimidin-4-yl)pyrazol-3-amine (CID 66320570) is 4-chloro-1-(6-ethoxypyrimidin-4-yl)pyrazol-3-amine.
What is the SMILES notation for 4-chloro-1-(6-ethoxypyrimidin-4-yl)pyrazol-3-amine?
The canonical SMILES for 4-chloro-1-(6-ethoxypyrimidin-4-yl)pyrazol-3-amine is CCOc1cc(-n2cc(Cl)c(N)n2)ncn1.
What is the InChIKey of 4-chloro-1-(6-ethoxypyrimidin-4-yl)pyrazol-3-amine?
The InChIKey is QCRZOTAQCKKMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5O/c1-2-16-8-3-7(12-5-13-8)15-4-6(10)9(11)14-15/h3-5H,2H2,1H3,(H2,11,14).
What are the key properties of 4-chloro-1-(6-ethoxypyrimidin-4-yl)pyrazol-3-amine?
4-chloro-1-(6-ethoxypyrimidin-4-yl)pyrazol-3-amine has a molecular weight of 239.67 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(6-ethoxypyrimidin-4-yl)pyrazol-3-amine is sourced from PubChem (CID 66320570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).