(5-chloro-3-ethoxycarbonylpyrazolo[1,5-a]pyrimidin-7-yl)-methylazanium

C10H12ClN4O2+ — CID 142523255

IUPAC(5-chloro-3-ethoxycarbonylpyrazolo[1,5-a]pyrimidin-7-yl)-methylazanium
SMILESCCOC(=O)c1cnn2c([NH2+]C)cc(Cl)nc12
InChIInChI=1S/C10H11ClN4O2/c1-3-17-10(16)6-5-13-15-8(12-2)4-7(11)14-9(6)15/h4-5,12H,3H2,1-2H3/p+1
InChIKeyWIDWIMDVSZVNOD-UHFFFAOYSA-O
MW255.69 g/mol
LogP0.38
Rot. Bonds3

About (5-chloro-3-ethoxycarbonylpyrazolo[1,5-a]pyrimidin-7-yl)-methylazanium

(5-chloro-3-ethoxycarbonylpyrazolo[1,5-a]pyrimidin-7-yl)-methylazanium (PubChem CID 142523255) has the molecular formula C10H12ClN4O2+ and a molecular weight of 255.69 g/mol. Its IUPAC name is (5-chloro-3-ethoxycarbonylpyrazolo[1,5-a]pyrimidin-7-yl)-methylazanium.

Molecular Properties

Compound Name(5-chloro-3-ethoxycarbonylpyrazolo[1,5-a]pyrimidin-7-yl)-methylazanium
PubChem CID142523255
Molecular FormulaC10H12ClN4O2+
Molecular Weight255.69 g/mol
Exact Mass255.06
IUPAC Name(5-chloro-3-ethoxycarbonylpyrazolo[1,5-a]pyrimidin-7-yl)-methylazanium
SMILESCCOC(=O)c1cnn2c([NH2+]C)cc(Cl)nc12
InChIInChI=1S/C10H11ClN4O2/c1-3-17-10(16)6-5-13-15-8(12-2)4-7(11)14-9(6)15/h4-5,12H,3H2,1-2H3/p+1
InChIKeyWIDWIMDVSZVNOD-UHFFFAOYSA-O
XLogP0.38
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.69
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 7-amino-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 974047
Ethyl 7-amino-3-cyanopyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 721647
Ethyl 7-amino-2-methyl-(1,2,4)triazolo(1,5-a)pyrimidine-6-carboxylate
CID 1509622
Ethyl pyrazolo(1,5-a)pyrimidine-3-carboxylate
CID 7021267
Ethyl 7-chloropyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 10489397
Ethyl 7-aminopyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 10965659
Ethyl 7-amino-6-cyanopyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 721646
3,6-Diethyl 7-aminopyrazolo(1,5-a)pyrimidine-3,6-dicarboxylate
CID 2816389
Ethyl 5-chloropyrazolo(1,5-a)pyrimidine-3-carboxylate
CID 58063474
Ethyl 2-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 71742955
Ethyl 4-ethyl-2-methylpyrazolo[1,5-a][1,3,5]triazine-8-carboxylate
CID 12916106
Ethyl 7-(2,2-dimethylhydrazinyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 44317584

Frequently Asked Questions

What is the IUPAC name of (5-chloro-3-ethoxycarbonylpyrazolo[1,5-a]pyrimidin-7-yl)-methylazanium?
The IUPAC name of (5-chloro-3-ethoxycarbonylpyrazolo[1,5-a]pyrimidin-7-yl)-methylazanium (CID 142523255) is (5-chloro-3-ethoxycarbonylpyrazolo[1,5-a]pyrimidin-7-yl)-methylazanium.
What is the SMILES notation for (5-chloro-3-ethoxycarbonylpyrazolo[1,5-a]pyrimidin-7-yl)-methylazanium?
The canonical SMILES for (5-chloro-3-ethoxycarbonylpyrazolo[1,5-a]pyrimidin-7-yl)-methylazanium is CCOC(=O)c1cnn2c([NH2+]C)cc(Cl)nc12.
What is the InChIKey of (5-chloro-3-ethoxycarbonylpyrazolo[1,5-a]pyrimidin-7-yl)-methylazanium?
The InChIKey is WIDWIMDVSZVNOD-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H11ClN4O2/c1-3-17-10(16)6-5-13-15-8(12-2)4-7(11)14-9(6)15/h4-5,12H,3H2,1-2H3/p+1.
What are the key properties of (5-chloro-3-ethoxycarbonylpyrazolo[1,5-a]pyrimidin-7-yl)-methylazanium?
(5-chloro-3-ethoxycarbonylpyrazolo[1,5-a]pyrimidin-7-yl)-methylazanium has a molecular weight of 255.69 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-3-ethoxycarbonylpyrazolo[1,5-a]pyrimidin-7-yl)-methylazanium is sourced from PubChem (CID 142523255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).