methyl (E)-3-(2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidin-3-yl)prop-2-enoate

C23H19N3O2 — CID 101352935

IUPACmethyl (E)-3-(2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidin-3-yl)prop-2-enoate
SMILESCOC(=O)/C=C/c1c(C)nn2c(-c3ccccc3)cc(-c3ccccc3)nc12
InChIInChI=1S/C23H19N3O2/c1-16-19(13-14-22(27)28-2)23-24-20(17-9-5-3-6-10-17)15-21(26(23)25-16)18-11-7-4-8-12-18/h3-15H,1-2H3/b14-13+
InChIKeyVUVLYPAZMWIKJT-BUHFOSPRSA-N
MW369.42 g/mol
LogP4.56
Rot. Bonds4

About methyl (E)-3-(2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidin-3-yl)prop-2-enoate

methyl (E)-3-(2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidin-3-yl)prop-2-enoate (PubChem CID 101352935) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is methyl (E)-3-(2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidin-3-yl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-(2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidin-3-yl)prop-2-enoate
PubChem CID101352935
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Namemethyl (E)-3-(2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidin-3-yl)prop-2-enoate
SMILESCOC(=O)/C=C/c1c(C)nn2c(-c3ccccc3)cc(-c3ccccc3)nc12
InChIInChI=1S/C23H19N3O2/c1-16-19(13-14-22(27)28-2)23-24-20(17-9-5-3-6-10-17)15-21(26(23)25-16)18-11-7-4-8-12-18/h3-15H,1-2H3/b14-13+
InChIKeyVUVLYPAZMWIKJT-BUHFOSPRSA-N
XLogP4.56
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (E)-3-[2-[4-[(E)-3-methoxy-3-oxoprop-1-enyl]-6-phenyl-2-pyridinyl]-6-phenyl-4-pyridinyl]prop-2-enoate
CID 102441695
3-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 170092111
3-(4-chlorophenyl)-2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine
CID 3802120
2-methyl-3,5-diphenyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 17172566
methyl 3-amino-9,11-diphenyl-5-thia-7,8,12-triazatricyclo[6.4.0.02,6]dodeca-1,3,6,9,11-pentaene-4-carboxylate
CID 10525024
3-iodo-2,5-dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine
CID 86012669
2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine
CID 788729
methyl (E)-3-[1-(benzenesulfonyl)-4-[(E)-3-methoxy-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-3-yl]prop-2-enoate
CID 102400141
2-methyl-5,7-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 625431
methyl 5-(1,3-dimethylpyrazol-4-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate
CID 19916106
methyl 3-chloro-5-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxylate
CID 44822298
N-(3-chloro-2-methylphenyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 171981658

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-(2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidin-3-yl)prop-2-enoate?
The IUPAC name of methyl (E)-3-(2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidin-3-yl)prop-2-enoate (CID 101352935) is methyl (E)-3-(2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidin-3-yl)prop-2-enoate.
What is the SMILES notation for methyl (E)-3-(2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidin-3-yl)prop-2-enoate?
The canonical SMILES for methyl (E)-3-(2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidin-3-yl)prop-2-enoate is COC(=O)/C=C/c1c(C)nn2c(-c3ccccc3)cc(-c3ccccc3)nc12.
What is the InChIKey of methyl (E)-3-(2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidin-3-yl)prop-2-enoate?
The InChIKey is VUVLYPAZMWIKJT-BUHFOSPRSA-N. The full InChI is InChI=1S/C23H19N3O2/c1-16-19(13-14-22(27)28-2)23-24-20(17-9-5-3-6-10-17)15-21(26(23)25-16)18-11-7-4-8-12-18/h3-15H,1-2H3/b14-13+.
What are the key properties of methyl (E)-3-(2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidin-3-yl)prop-2-enoate?
methyl (E)-3-(2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidin-3-yl)prop-2-enoate has a molecular weight of 369.42 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-(2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidin-3-yl)prop-2-enoate is sourced from PubChem (CID 101352935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).