7-chloro-2-(3-methoxyphenyl)-5-propylpyrazolo[1,5-a]pyrimidine

C16H16ClN3O — CID 82269959

IUPAC7-chloro-2-(3-methoxyphenyl)-5-propylpyrazolo[1,5-a]pyrimidine
SMILESCCCc1cc(Cl)n2nc(-c3cccc(OC)c3)cc2n1
InChIInChI=1S/C16H16ClN3O/c1-3-5-12-9-15(17)20-16(18-12)10-14(19-20)11-6-4-7-13(8-11)21-2/h4,6-10H,3,5H2,1-2H3
InChIKeyDSYUFEKJJZXIIE-UHFFFAOYSA-N
MW301.78 g/mol
LogP4.01
Rot. Bonds4

About 7-chloro-2-(3-methoxyphenyl)-5-propylpyrazolo[1,5-a]pyrimidine

7-chloro-2-(3-methoxyphenyl)-5-propylpyrazolo[1,5-a]pyrimidine (PubChem CID 82269959) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is 7-chloro-2-(3-methoxyphenyl)-5-propylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-2-(3-methoxyphenyl)-5-propylpyrazolo[1,5-a]pyrimidine
PubChem CID82269959
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC Name7-chloro-2-(3-methoxyphenyl)-5-propylpyrazolo[1,5-a]pyrimidine
SMILESCCCc1cc(Cl)n2nc(-c3cccc(OC)c3)cc2n1
InChIInChI=1S/C16H16ClN3O/c1-3-5-12-9-15(17)20-16(18-12)10-14(19-20)11-6-4-7-13(8-11)21-2/h4,6-10H,3,5H2,1-2H3
InChIKeyDSYUFEKJJZXIIE-UHFFFAOYSA-N
XLogP4.01
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-5-ethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 82269989
7-chloro-2-(4-methylphenyl)-5-propylpyrazolo[1,5-a]pyrimidine
CID 82269952
[2-(3-chlorophenyl)-5-propylpyrazolo[1,5-a]pyrimidin-7-yl]hydrazine
CID 82270367
2-(3-methoxyphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 43814268
N',N'-diethyl-N-[2-(3-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]propane-1,3-diamine
CID 3230082
2-(3-methoxyphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
CID 82270130
2-(4-chlorophenyl)-7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 46079483
ethyl 7-(3-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 42877149
N-ethyl-2-(3-methoxyphenyl)-6-propylpyrimidin-4-amine
CID 62190374
6-(3-methoxyphenyl)-N-methyl-2-propylpyrimidin-4-amine
CID 80946276
7-chloro-2-cyclobutyl-5-propylpyrazolo[1,5-a]pyrimidine
CID 82269944
ethyl 7-chloro-5-propylpyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 114514655

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(3-methoxyphenyl)-5-propylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-2-(3-methoxyphenyl)-5-propylpyrazolo[1,5-a]pyrimidine (CID 82269959) is 7-chloro-2-(3-methoxyphenyl)-5-propylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-2-(3-methoxyphenyl)-5-propylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-2-(3-methoxyphenyl)-5-propylpyrazolo[1,5-a]pyrimidine is CCCc1cc(Cl)n2nc(-c3cccc(OC)c3)cc2n1.
What is the InChIKey of 7-chloro-2-(3-methoxyphenyl)-5-propylpyrazolo[1,5-a]pyrimidine?
The InChIKey is DSYUFEKJJZXIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O/c1-3-5-12-9-15(17)20-16(18-12)10-14(19-20)11-6-4-7-13(8-11)21-2/h4,6-10H,3,5H2,1-2H3.
What are the key properties of 7-chloro-2-(3-methoxyphenyl)-5-propylpyrazolo[1,5-a]pyrimidine?
7-chloro-2-(3-methoxyphenyl)-5-propylpyrazolo[1,5-a]pyrimidine has a molecular weight of 301.78 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(3-methoxyphenyl)-5-propylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 82269959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).