7-cyclopenta-2,4-dien-1-yl-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine

C18H15N3O — CID 164575690

IUPAC7-cyclopenta-2,4-dien-1-yl-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2cnn3c(C4C=CC=C4)ccnc23)cc1
InChIInChI=1S/C18H15N3O/c1-22-15-8-6-13(7-9-15)16-12-20-21-17(10-11-19-18(16)21)14-4-2-3-5-14/h2-12,14H,1H3
InChIKeyQPCPZVPFYWYVTJ-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.61
Rot. Bonds3

About 7-cyclopenta-2,4-dien-1-yl-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine

7-cyclopenta-2,4-dien-1-yl-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 164575690) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is 7-cyclopenta-2,4-dien-1-yl-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-cyclopenta-2,4-dien-1-yl-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
PubChem CID164575690
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC Name7-cyclopenta-2,4-dien-1-yl-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2cnn3c(C4C=CC=C4)ccnc23)cc1
InChIInChI=1S/C18H15N3O/c1-22-15-8-6-13(7-9-15)16-12-20-21-17(10-11-19-18(16)21)14-4-2-3-5-14/h2-12,14H,1H3
InChIKeyQPCPZVPFYWYVTJ-UHFFFAOYSA-N
XLogP3.61
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-cyclopenta-2,4-dien-1-yl-3-(4-nitrophenyl)pyrazolo[1,5-a]pyrimidine
CID 164575701
[(2S)-1-[3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]methanol
CID 126473236
3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 71150900
3-(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 68751853
methyl 7-amino-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 53367635
5,7-dichloro-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 82274347
7-(2-methoxyphenyl)-3-phenylpyrazolo[1,5-a]pyrimidine
CID 56737889
3-(4-chlorophenyl)-7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 56922227
N-[(4-methoxyphenyl)methyl]-3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 126472767
[3-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone
CID 43865298
7-cyclopenta-2,4-dien-1-yl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine
CID 164575676
7-methoxy-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine
CID 13465938

Frequently Asked Questions

What is the IUPAC name of 7-cyclopenta-2,4-dien-1-yl-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-cyclopenta-2,4-dien-1-yl-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine (CID 164575690) is 7-cyclopenta-2,4-dien-1-yl-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-cyclopenta-2,4-dien-1-yl-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-cyclopenta-2,4-dien-1-yl-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine is COc1ccc(-c2cnn3c(C4C=CC=C4)ccnc23)cc1.
What is the InChIKey of 7-cyclopenta-2,4-dien-1-yl-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is QPCPZVPFYWYVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O/c1-22-15-8-6-13(7-9-15)16-12-20-21-17(10-11-19-18(16)21)14-4-2-3-5-14/h2-12,14H,1H3.
What are the key properties of 7-cyclopenta-2,4-dien-1-yl-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine?
7-cyclopenta-2,4-dien-1-yl-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 289.34 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopenta-2,4-dien-1-yl-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 164575690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).