methyl 5-(1,3-dimethylpyrazol-4-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate

C20H19N5O2 — CID 19916106

IUPACmethyl 5-(1,3-dimethylpyrazol-4-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate
SMILESCOC(=O)c1cc(-c2cn(C)nc2C)nc2c(-c3ccccc3)c(C)nn12
InChIInChI=1S/C20H19N5O2/c1-12-15(11-24(3)22-12)16-10-17(20(26)27-4)25-19(21-16)18(13(2)23-25)14-8-6-5-7-9-14/h5-11H,1-4H3
InChIKeyYENRBDCZVZOTFF-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.20
Rot. Bonds3

About methyl 5-(1,3-dimethylpyrazol-4-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate

methyl 5-(1,3-dimethylpyrazol-4-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate (PubChem CID 19916106) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is methyl 5-(1,3-dimethylpyrazol-4-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate.

Molecular Properties

Compound Namemethyl 5-(1,3-dimethylpyrazol-4-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate
PubChem CID19916106
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Namemethyl 5-(1,3-dimethylpyrazol-4-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate
SMILESCOC(=O)c1cc(-c2cn(C)nc2C)nc2c(-c3ccccc3)c(C)nn12
InChIInChI=1S/C20H19N5O2/c1-12-15(11-24(3)22-12)16-10-17(20(26)27-4)25-19(21-16)18(13(2)23-25)14-8-6-5-7-9-14/h5-11H,1-4H3
InChIKeyYENRBDCZVZOTFF-UHFFFAOYSA-N
XLogP3.20
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(1,3-dimethylpyrazol-4-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate?
The IUPAC name of methyl 5-(1,3-dimethylpyrazol-4-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate (CID 19916106) is methyl 5-(1,3-dimethylpyrazol-4-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate.
What is the SMILES notation for methyl 5-(1,3-dimethylpyrazol-4-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate?
The canonical SMILES for methyl 5-(1,3-dimethylpyrazol-4-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate is COC(=O)c1cc(-c2cn(C)nc2C)nc2c(-c3ccccc3)c(C)nn12.
What is the InChIKey of methyl 5-(1,3-dimethylpyrazol-4-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate?
The InChIKey is YENRBDCZVZOTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-12-15(11-24(3)22-12)16-10-17(20(26)27-4)25-19(21-16)18(13(2)23-25)14-8-6-5-7-9-14/h5-11H,1-4H3.
What are the key properties of methyl 5-(1,3-dimethylpyrazol-4-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate?
methyl 5-(1,3-dimethylpyrazol-4-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate has a molecular weight of 361.41 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(1,3-dimethylpyrazol-4-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate is sourced from PubChem (CID 19916106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).