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

C19H17N5O2 — CID 19916100

IUPACmethyl 5-(1,3-dimethylpyrazol-4-yl)-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate
SMILESCOC(=O)c1cc(-c2cn(C)nc2C)nc2c(-c3ccccc3)cnn12
InChIInChI=1S/C19H17N5O2/c1-12-15(11-23(2)22-12)16-9-17(19(25)26-3)24-18(21-16)14(10-20-24)13-7-5-4-6-8-13/h4-11H,1-3H3
InChIKeyWCUFJQVJHJKVMJ-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.89
Rot. Bonds3

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

methyl 5-(1,3-dimethylpyrazol-4-yl)-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate (PubChem CID 19916100) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is methyl 5-(1,3-dimethylpyrazol-4-yl)-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate.

Molecular Properties

Compound Namemethyl 5-(1,3-dimethylpyrazol-4-yl)-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate
PubChem CID19916100
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Namemethyl 5-(1,3-dimethylpyrazol-4-yl)-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate
SMILESCOC(=O)c1cc(-c2cn(C)nc2C)nc2c(-c3ccccc3)cnn12
InChIInChI=1S/C19H17N5O2/c1-12-15(11-23(2)22-12)16-9-17(19(25)26-3)24-18(21-16)14(10-20-24)13-7-5-4-6-8-13/h4-11H,1-3H3
InChIKeyWCUFJQVJHJKVMJ-UHFFFAOYSA-N
XLogP2.89
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 5-(1,3-dimethylpyrazol-4-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate
CID 19916106
methyl 5-(4-fluorophenyl)-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate
CID 19916264
methyl 5-(3-nitrophenyl)-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate
CID 29091282
methyl 3-bromo-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate
CID 19916288
methyl 5-(2,4-dichlorophenyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate
CID 19916128
methyl 3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate
CID 19916146
methyl 3-bromo-5-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylate
CID 19916139
methyl 3-chloro-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-7-carboxylate
CID 44822346
3-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 113433503
dimethyl 5-[[2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carbonyl]amino]benzene-1,3-dicarboxylate
CID 19511697
methyl 4-[7-[2-(2-hydroxyethoxy)ethylamino]-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]benzoate
CID 177044933
methyl 3-chloro-5-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate
CID 29091398

Frequently Asked Questions

What is the IUPAC name of methyl 5-(1,3-dimethylpyrazol-4-yl)-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate?
The IUPAC name of methyl 5-(1,3-dimethylpyrazol-4-yl)-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate (CID 19916100) is methyl 5-(1,3-dimethylpyrazol-4-yl)-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate.
What is the SMILES notation for methyl 5-(1,3-dimethylpyrazol-4-yl)-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate?
The canonical SMILES for methyl 5-(1,3-dimethylpyrazol-4-yl)-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate is COC(=O)c1cc(-c2cn(C)nc2C)nc2c(-c3ccccc3)cnn12.
What is the InChIKey of methyl 5-(1,3-dimethylpyrazol-4-yl)-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate?
The InChIKey is WCUFJQVJHJKVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-12-15(11-23(2)22-12)16-9-17(19(25)26-3)24-18(21-16)14(10-20-24)13-7-5-4-6-8-13/h4-11H,1-3H3.
What are the key properties of methyl 5-(1,3-dimethylpyrazol-4-yl)-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate?
methyl 5-(1,3-dimethylpyrazol-4-yl)-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate has a molecular weight of 347.38 g/mol, XLogP of 2.89, 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)-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate is sourced from PubChem (CID 19916100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).