methyl 3-cyano-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylate

C12H10N4O2 — CID 19916119

IUPACmethyl 3-cyano-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylate
SMILESCOC(=O)c1cc(C2CC2)nc2c(C#N)cnn12
InChIInChI=1S/C12H10N4O2/c1-18-12(17)10-4-9(7-2-3-7)15-11-8(5-13)6-14-16(10)11/h4,6-7H,2-3H2,1H3
InChIKeyMUJFRNMMRRJXIV-UHFFFAOYSA-N
MW242.24 g/mol
LogP1.26
Rot. Bonds2

About methyl 3-cyano-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylate

methyl 3-cyano-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylate (PubChem CID 19916119) has the molecular formula C12H10N4O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is methyl 3-cyano-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylate.

Molecular Properties

Compound Namemethyl 3-cyano-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylate
PubChem CID19916119
Molecular FormulaC12H10N4O2
Molecular Weight242.24 g/mol
Exact Mass242.08
IUPAC Namemethyl 3-cyano-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylate
SMILESCOC(=O)c1cc(C2CC2)nc2c(C#N)cnn12
InChIInChI=1S/C12H10N4O2/c1-18-12(17)10-4-9(7-2-3-7)15-11-8(5-13)6-14-16(10)11/h4,6-7H,2-3H2,1H3
InChIKeyMUJFRNMMRRJXIV-UHFFFAOYSA-N
XLogP1.26
TPSA80.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-cyano-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylate?
The IUPAC name of methyl 3-cyano-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylate (CID 19916119) is methyl 3-cyano-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylate.
What is the SMILES notation for methyl 3-cyano-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylate?
The canonical SMILES for methyl 3-cyano-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylate is COC(=O)c1cc(C2CC2)nc2c(C#N)cnn12.
What is the InChIKey of methyl 3-cyano-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylate?
The InChIKey is MUJFRNMMRRJXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2/c1-18-12(17)10-4-9(7-2-3-7)15-11-8(5-13)6-14-16(10)11/h4,6-7H,2-3H2,1H3.
What are the key properties of methyl 3-cyano-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylate?
methyl 3-cyano-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylate has a molecular weight of 242.24 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-cyano-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylate is sourced from PubChem (CID 19916119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).