methyl 3-(4-chlorophenyl)-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylate

C17H14ClN3O2 — CID 19916267

IUPACmethyl 3-(4-chlorophenyl)-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylate
SMILESCOC(=O)c1cc(C2CC2)nc2c(-c3ccc(Cl)cc3)cnn12
InChIInChI=1S/C17H14ClN3O2/c1-23-17(22)15-8-14(11-2-3-11)20-16-13(9-19-21(15)16)10-4-6-12(18)7-5-10/h4-9,11H,2-3H2,1H3
InChIKeyHAADEKRHJJQVBS-UHFFFAOYSA-N
MW327.77 g/mol
LogP3.71
Rot. Bonds3

About methyl 3-(4-chlorophenyl)-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylate

methyl 3-(4-chlorophenyl)-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylate (PubChem CID 19916267) has the molecular formula C17H14ClN3O2 and a molecular weight of 327.77 g/mol. Its IUPAC name is methyl 3-(4-chlorophenyl)-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylate.

Molecular Properties

Compound Namemethyl 3-(4-chlorophenyl)-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylate
PubChem CID19916267
Molecular FormulaC17H14ClN3O2
Molecular Weight327.77 g/mol
Exact Mass327.08
IUPAC Namemethyl 3-(4-chlorophenyl)-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylate
SMILESCOC(=O)c1cc(C2CC2)nc2c(-c3ccc(Cl)cc3)cnn12
InChIInChI=1S/C17H14ClN3O2/c1-23-17(22)15-8-14(11-2-3-11)20-16-13(9-19-21(15)16)10-4-6-12(18)7-5-10/h4-9,11H,2-3H2,1H3
InChIKeyHAADEKRHJJQVBS-UHFFFAOYSA-N
XLogP3.71
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-chlorophenyl)-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylate?
The IUPAC name of methyl 3-(4-chlorophenyl)-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylate (CID 19916267) is methyl 3-(4-chlorophenyl)-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylate.
What is the SMILES notation for methyl 3-(4-chlorophenyl)-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylate?
The canonical SMILES for methyl 3-(4-chlorophenyl)-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylate is COC(=O)c1cc(C2CC2)nc2c(-c3ccc(Cl)cc3)cnn12.
What is the InChIKey of methyl 3-(4-chlorophenyl)-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylate?
The InChIKey is HAADEKRHJJQVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2/c1-23-17(22)15-8-14(11-2-3-11)20-16-13(9-19-21(15)16)10-4-6-12(18)7-5-10/h4-9,11H,2-3H2,1H3.
What are the key properties of methyl 3-(4-chlorophenyl)-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylate?
methyl 3-(4-chlorophenyl)-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylate has a molecular weight of 327.77 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-chlorophenyl)-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylate is sourced from PubChem (CID 19916267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).