3-butan-2-yl-7-chloro-5-phenylpyrazolo[1,5-a]pyrimidine

C16H16ClN3 — CID 142869856

IUPAC3-butan-2-yl-7-chloro-5-phenylpyrazolo[1,5-a]pyrimidine
SMILESCCC(C)c1cnn2c(Cl)cc(-c3ccccc3)nc12
InChIInChI=1S/C16H16ClN3/c1-3-11(2)13-10-18-20-15(17)9-14(19-16(13)20)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3
InChIKeyOGLBGKIQDRLIOK-UHFFFAOYSA-N
MW285.78 g/mol
LogP4.56
Rot. Bonds3

About 3-butan-2-yl-7-chloro-5-phenylpyrazolo[1,5-a]pyrimidine

3-butan-2-yl-7-chloro-5-phenylpyrazolo[1,5-a]pyrimidine (PubChem CID 142869856) has the molecular formula C16H16ClN3 and a molecular weight of 285.78 g/mol. Its IUPAC name is 3-butan-2-yl-7-chloro-5-phenylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-butan-2-yl-7-chloro-5-phenylpyrazolo[1,5-a]pyrimidine
PubChem CID142869856
Molecular FormulaC16H16ClN3
Molecular Weight285.78 g/mol
Exact Mass285.10
IUPAC Name3-butan-2-yl-7-chloro-5-phenylpyrazolo[1,5-a]pyrimidine
SMILESCCC(C)c1cnn2c(Cl)cc(-c3ccccc3)nc12
InChIInChI=1S/C16H16ClN3/c1-3-11(2)13-10-18-20-15(17)9-14(19-16(13)20)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3
InChIKeyOGLBGKIQDRLIOK-UHFFFAOYSA-N
XLogP4.56
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 ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-chloro-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-2,2,2-trifluoroethanol;ethane
CID 142870529
N-(3-butan-2-yl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-4-carboxamide
CID 143067661
N-butan-2-yl-3-(4-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4894015
7-chloro-5-(4-chlorophenyl)-3-methylpyrazolo[1,5-a]pyrimidine
CID 154540820
7-chloro-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde;(7-chloro-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanol
CID 159834441
3-bromo-7-chloro-5-phenylpyrazolo[1,5-a]pyrimidine;3-bromo-5-phenyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 158192871
7-chloro-3-ethyl-5-thiophen-3-ylpyrazolo[1,5-a]pyrimidine
CID 22309024
(4-butan-2-yl-6-phenyl-3-pyridinyl)-trimethylgermane
CID 167332909
3-(4-chlorophenyl)-5-phenyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4893000
N-butan-2-yl-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4071577
7-chloro-5-cyclopropyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine
CID 170775874
N-(3-butan-2-yl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-carboxamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-1-methoxy-1,2-dihydropyridin-1-ium-3-carboxamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-4-carboxamide
CID 143067635

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-7-chloro-5-phenylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-butan-2-yl-7-chloro-5-phenylpyrazolo[1,5-a]pyrimidine (CID 142869856) is 3-butan-2-yl-7-chloro-5-phenylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-butan-2-yl-7-chloro-5-phenylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-butan-2-yl-7-chloro-5-phenylpyrazolo[1,5-a]pyrimidine is CCC(C)c1cnn2c(Cl)cc(-c3ccccc3)nc12.
What is the InChIKey of 3-butan-2-yl-7-chloro-5-phenylpyrazolo[1,5-a]pyrimidine?
The InChIKey is OGLBGKIQDRLIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3/c1-3-11(2)13-10-18-20-15(17)9-14(19-16(13)20)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3.
What are the key properties of 3-butan-2-yl-7-chloro-5-phenylpyrazolo[1,5-a]pyrimidine?
3-butan-2-yl-7-chloro-5-phenylpyrazolo[1,5-a]pyrimidine has a molecular weight of 285.78 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-7-chloro-5-phenylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 142869856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).