ethyl 2-amino-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate

C9H9ClN4O2 — CID 118077542

IUPACethyl 2-amino-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1c(N)nn2ccc(Cl)nc12
InChIInChI=1S/C9H9ClN4O2/c1-2-16-9(15)6-7(11)13-14-4-3-5(10)12-8(6)14/h3-4H,2H2,1H3,(H2,11,13)
InChIKeyUKRYTIBFBUCJGB-UHFFFAOYSA-N
MW240.65 g/mol
LogP1.14
Rot. Bonds2

About ethyl 2-amino-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate

ethyl 2-amino-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 118077542) has the molecular formula C9H9ClN4O2 and a molecular weight of 240.65 g/mol. Its IUPAC name is ethyl 2-amino-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID118077542
Molecular FormulaC9H9ClN4O2
Molecular Weight240.65 g/mol
Exact Mass240.04
IUPAC Nameethyl 2-amino-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1c(N)nn2ccc(Cl)nc12
InChIInChI=1S/C9H9ClN4O2/c1-2-16-9(15)6-7(11)13-14-4-3-5(10)12-8(6)14/h3-4H,2H2,1H3,(H2,11,13)
InChIKeyUKRYTIBFBUCJGB-UHFFFAOYSA-N
XLogP1.14
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.65
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 2-amino-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 118077542) is ethyl 2-amino-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 2-amino-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)c1c(N)nn2ccc(Cl)nc12.
What is the InChIKey of ethyl 2-amino-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is UKRYTIBFBUCJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4O2/c1-2-16-9(15)6-7(11)13-14-4-3-5(10)12-8(6)14/h3-4H,2H2,1H3,(H2,11,13).
What are the key properties of ethyl 2-amino-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate?
ethyl 2-amino-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 240.65 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 118077542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).