7-chloro-2-(4-methylphenyl)-5-propylpyrazolo[1,5-a]pyrimidine

C16H16ClN3 — CID 82269952

IUPAC7-chloro-2-(4-methylphenyl)-5-propylpyrazolo[1,5-a]pyrimidine
SMILESCCCc1cc(Cl)n2nc(-c3ccc(C)cc3)cc2n1
InChIInChI=1S/C16H16ClN3/c1-3-4-13-9-15(17)20-16(18-13)10-14(19-20)12-7-5-11(2)6-8-12/h5-10H,3-4H2,1-2H3
InChIKeyFQPMHMPQNMSTHZ-UHFFFAOYSA-N
MW285.78 g/mol
LogP4.31
Rot. Bonds3

About 7-chloro-2-(4-methylphenyl)-5-propylpyrazolo[1,5-a]pyrimidine

7-chloro-2-(4-methylphenyl)-5-propylpyrazolo[1,5-a]pyrimidine (PubChem CID 82269952) has the molecular formula C16H16ClN3 and a molecular weight of 285.78 g/mol. Its IUPAC name is 7-chloro-2-(4-methylphenyl)-5-propylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-2-(4-methylphenyl)-5-propylpyrazolo[1,5-a]pyrimidine
PubChem CID82269952
Molecular FormulaC16H16ClN3
Molecular Weight285.78 g/mol
Exact Mass285.10
IUPAC Name7-chloro-2-(4-methylphenyl)-5-propylpyrazolo[1,5-a]pyrimidine
SMILESCCCc1cc(Cl)n2nc(-c3ccc(C)cc3)cc2n1
InChIInChI=1S/C16H16ClN3/c1-3-4-13-9-15(17)20-16(18-13)10-14(19-20)12-7-5-11(2)6-8-12/h5-10H,3-4H2,1-2H3
InChIKeyFQPMHMPQNMSTHZ-UHFFFAOYSA-N
XLogP4.31
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-2-(3-chlorophenyl)-5-propylpyrazolo[1,5-a]pyrimidine
CID 82269954
7-chloro-2-(3-methoxyphenyl)-5-propylpyrazolo[1,5-a]pyrimidine
CID 82269959
7-chloro-5-ethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 82269989
7-chloro-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 82271539
7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidine
CID 83702760
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
2-[7-chloro-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]acetic acid
CID 82271664
6-chloro-5,7-dimethyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
CID 779831
2-(7-chloro-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)acetic acid
CID 82271662
[2-(3-chlorophenyl)-5-propylpyrazolo[1,5-a]pyrimidin-7-yl]hydrazine
CID 82270367
7-chloro-5-ethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
CID 82269997

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(4-methylphenyl)-5-propylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-2-(4-methylphenyl)-5-propylpyrazolo[1,5-a]pyrimidine (CID 82269952) is 7-chloro-2-(4-methylphenyl)-5-propylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-2-(4-methylphenyl)-5-propylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-2-(4-methylphenyl)-5-propylpyrazolo[1,5-a]pyrimidine is CCCc1cc(Cl)n2nc(-c3ccc(C)cc3)cc2n1.
What is the InChIKey of 7-chloro-2-(4-methylphenyl)-5-propylpyrazolo[1,5-a]pyrimidine?
The InChIKey is FQPMHMPQNMSTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3/c1-3-4-13-9-15(17)20-16(18-13)10-14(19-20)12-7-5-11(2)6-8-12/h5-10H,3-4H2,1-2H3.
What are the key properties of 7-chloro-2-(4-methylphenyl)-5-propylpyrazolo[1,5-a]pyrimidine?
7-chloro-2-(4-methylphenyl)-5-propylpyrazolo[1,5-a]pyrimidine has a molecular weight of 285.78 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(4-methylphenyl)-5-propylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 82269952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).