3-(7-methoxy-3-phenylpyrazolo[1,5-a]pyrimidin-5-yl)borinane-1-carbonitrile

C19H19BN4O — CID 143441153

IUPAC3-(7-methoxy-3-phenylpyrazolo[1,5-a]pyrimidin-5-yl)borinane-1-carbonitrile
SMILESCOc1cc(C2CCCB(C#N)C2)nc2c(-c3ccccc3)cnn12
InChIInChI=1S/C19H19BN4O/c1-25-18-10-17(15-8-5-9-20(11-15)13-21)23-19-16(12-22-24(18)19)14-6-3-2-4-7-14/h2-4,6-7,10,12,15H,5,8-9,11H2,1H3
InChIKeyAWYLLGCTVTWWTG-UHFFFAOYSA-N
MW330.20 g/mol
LogP3.84
Rot. Bonds3

About 3-(7-methoxy-3-phenylpyrazolo[1,5-a]pyrimidin-5-yl)borinane-1-carbonitrile

3-(7-methoxy-3-phenylpyrazolo[1,5-a]pyrimidin-5-yl)borinane-1-carbonitrile (PubChem CID 143441153) has the molecular formula C19H19BN4O and a molecular weight of 330.20 g/mol. Its IUPAC name is 3-(7-methoxy-3-phenylpyrazolo[1,5-a]pyrimidin-5-yl)borinane-1-carbonitrile.

Molecular Properties

Compound Name3-(7-methoxy-3-phenylpyrazolo[1,5-a]pyrimidin-5-yl)borinane-1-carbonitrile
PubChem CID143441153
Molecular FormulaC19H19BN4O
Molecular Weight330.20 g/mol
Exact Mass330.17
IUPAC Name3-(7-methoxy-3-phenylpyrazolo[1,5-a]pyrimidin-5-yl)borinane-1-carbonitrile
SMILESCOc1cc(C2CCCB(C#N)C2)nc2c(-c3ccccc3)cnn12
InChIInChI=1S/C19H19BN4O/c1-25-18-10-17(15-8-5-9-20(11-15)13-21)23-19-16(12-22-24(18)19)14-6-3-2-4-7-14/h2-4,6-7,10,12,15H,5,8-9,11H2,1H3
InChIKeyAWYLLGCTVTWWTG-UHFFFAOYSA-N
XLogP3.84
TPSA63.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.20
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

ethane;3-[7-methoxy-3-(6-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]borinane-1-carbonitrile
CID 143440464
ethane;3-[3-(5-formylfuran-3-yl)-7-methoxypyrazolo[1,5-a]pyrimidin-5-yl]borinane-1-carbonitrile
CID 143656240
ethane;3-[3-(furan-3-yl)-7-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]borinane-1-carbonitrile
CID 143656210
3-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]borinane-1-carbonitrile;ethane
CID 143436633
methyl 3-(7-amino-5-cyclohexylpyrazolo[1,5-a]pyrimidin-3-yl)benzoate
CID 161126543
3-[7-amino-6-bromo-3-(1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]borinane-1-carbonitrile
CID 143441730
5-[7-amino-5-(1-methylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carbonitrile
CID 71199011
3-(1-methylpyrazol-4-yl)-5-(3-phenylmethoxycyclohexyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 71058463
5,6-dimethyl-3-phenyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine
CID 8741392
3-(4-chlorophenyl)-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 44822341
3-(4-chlorophenyl)-5-phenyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4893000
3,5-diphenyl-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 34956849

Frequently Asked Questions

What is the IUPAC name of 3-(7-methoxy-3-phenylpyrazolo[1,5-a]pyrimidin-5-yl)borinane-1-carbonitrile?
The IUPAC name of 3-(7-methoxy-3-phenylpyrazolo[1,5-a]pyrimidin-5-yl)borinane-1-carbonitrile (CID 143441153) is 3-(7-methoxy-3-phenylpyrazolo[1,5-a]pyrimidin-5-yl)borinane-1-carbonitrile.
What is the SMILES notation for 3-(7-methoxy-3-phenylpyrazolo[1,5-a]pyrimidin-5-yl)borinane-1-carbonitrile?
The canonical SMILES for 3-(7-methoxy-3-phenylpyrazolo[1,5-a]pyrimidin-5-yl)borinane-1-carbonitrile is COc1cc(C2CCCB(C#N)C2)nc2c(-c3ccccc3)cnn12.
What is the InChIKey of 3-(7-methoxy-3-phenylpyrazolo[1,5-a]pyrimidin-5-yl)borinane-1-carbonitrile?
The InChIKey is AWYLLGCTVTWWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BN4O/c1-25-18-10-17(15-8-5-9-20(11-15)13-21)23-19-16(12-22-24(18)19)14-6-3-2-4-7-14/h2-4,6-7,10,12,15H,5,8-9,11H2,1H3.
What are the key properties of 3-(7-methoxy-3-phenylpyrazolo[1,5-a]pyrimidin-5-yl)borinane-1-carbonitrile?
3-(7-methoxy-3-phenylpyrazolo[1,5-a]pyrimidin-5-yl)borinane-1-carbonitrile has a molecular weight of 330.20 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methoxy-3-phenylpyrazolo[1,5-a]pyrimidin-5-yl)borinane-1-carbonitrile is sourced from PubChem (CID 143441153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).