ethyl 7-[(E)-2-(dimethylamino)ethenyl]-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate

C19H20N4O2 — CID 10449670

IUPACethyl 7-[(E)-2-(dimethylamino)ethenyl]-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2c(-c3ccccc3)cnn2c1/C=C/N(C)C
InChIInChI=1S/C19H20N4O2/c1-4-25-19(24)16-12-20-18-15(14-8-6-5-7-9-14)13-21-23(18)17(16)10-11-22(2)3/h5-13H,4H2,1-3H3/b11-10+
InChIKeyKMEIIBWKMVTIEK-ZHACJKMWSA-N
MW336.40 g/mol
LogP3.11
Rot. Bonds5

About ethyl 7-[(E)-2-(dimethylamino)ethenyl]-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate

ethyl 7-[(E)-2-(dimethylamino)ethenyl]-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 10449670) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is ethyl 7-[(E)-2-(dimethylamino)ethenyl]-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 7-[(E)-2-(dimethylamino)ethenyl]-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID10449670
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Nameethyl 7-[(E)-2-(dimethylamino)ethenyl]-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2c(-c3ccccc3)cnn2c1/C=C/N(C)C
InChIInChI=1S/C19H20N4O2/c1-4-25-19(24)16-12-20-18-15(14-8-6-5-7-9-14)13-21-23(18)17(16)10-11-22(2)3/h5-13H,4H2,1-3H3/b11-10+
InChIKeyKMEIIBWKMVTIEK-ZHACJKMWSA-N
XLogP3.11
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 7-[(E)-2-(dimethylamino)ethenyl]-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 6-acetyl-7-[(E)-2-(dimethylamino)ethenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 14690582
ethyl 7-[(E)-2-(dimethylamino)ethenyl]-2-ethyl-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 25251790
ethyl 3-(3-chlorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 10041419
ethyl 7-amino-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 654938
ethyl 7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 11230936
(E)-N,N-dimethyl-2-(3-methylsulfonyl-8-phenylpyrazolo[5,1-c][1,2,4]triazin-4-yl)ethenamine
CID 171665838
ethyl 7-[(E)-2-phenylethenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 30465404
ethyl 6-(4-phenoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 15957947
ethyl 6-[4-(3-methoxyphenyl)phenyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 69155295
ethyl 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 656076
ethyl 3,7-dichloropyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 131526354
ethyl 5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 162374914

Frequently Asked Questions

What is the IUPAC name of ethyl 7-[(E)-2-(dimethylamino)ethenyl]-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 7-[(E)-2-(dimethylamino)ethenyl]-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate (CID 10449670) is ethyl 7-[(E)-2-(dimethylamino)ethenyl]-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 7-[(E)-2-(dimethylamino)ethenyl]-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 7-[(E)-2-(dimethylamino)ethenyl]-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate is CCOC(=O)c1cnc2c(-c3ccccc3)cnn2c1/C=C/N(C)C.
What is the InChIKey of ethyl 7-[(E)-2-(dimethylamino)ethenyl]-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is KMEIIBWKMVTIEK-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-4-25-19(24)16-12-20-18-15(14-8-6-5-7-9-14)13-21-23(18)17(16)10-11-22(2)3/h5-13H,4H2,1-3H3/b11-10+.
What are the key properties of ethyl 7-[(E)-2-(dimethylamino)ethenyl]-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
ethyl 7-[(E)-2-(dimethylamino)ethenyl]-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 336.40 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-[(E)-2-(dimethylamino)ethenyl]-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 10449670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).