5-(4-methoxyphenyl)-7-[(1-methylpyrazol-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C18H15N7O — CID 70694813

IUPAC5-(4-methoxyphenyl)-7-[(1-methylpyrazol-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCOc1ccc(-c2cc(Nc3ccn(C)n3)n3ncc(C#N)c3n2)cc1
InChIInChI=1S/C18H15N7O/c1-24-8-7-16(23-24)22-17-9-15(12-3-5-14(26-2)6-4-12)21-18-13(10-19)11-20-25(17)18/h3-9,11H,1-2H3,(H,22,23)
InChIKeyGPDNKMBIWFHBEU-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.75
Rot. Bonds4

About 5-(4-methoxyphenyl)-7-[(1-methylpyrazol-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile

5-(4-methoxyphenyl)-7-[(1-methylpyrazol-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 70694813) has the molecular formula C18H15N7O and a molecular weight of 345.37 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-7-[(1-methylpyrazol-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-7-[(1-methylpyrazol-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID70694813
Molecular FormulaC18H15N7O
Molecular Weight345.37 g/mol
Exact Mass345.13
IUPAC Name5-(4-methoxyphenyl)-7-[(1-methylpyrazol-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCOc1ccc(-c2cc(Nc3ccn(C)n3)n3ncc(C#N)c3n2)cc1
InChIInChI=1S/C18H15N7O/c1-24-8-7-16(23-24)22-17-9-15(12-3-5-14(26-2)6-4-12)21-18-13(10-19)11-20-25(17)18/h3-9,11H,1-2H3,(H,22,23)
InChIKeyGPDNKMBIWFHBEU-UHFFFAOYSA-N
XLogP2.75
TPSA93.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-7-[(1-methylpyrazol-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 5-(4-methoxyphenyl)-7-[(1-methylpyrazol-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 70694813) is 5-(4-methoxyphenyl)-7-[(1-methylpyrazol-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 5-(4-methoxyphenyl)-7-[(1-methylpyrazol-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 5-(4-methoxyphenyl)-7-[(1-methylpyrazol-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile is COc1ccc(-c2cc(Nc3ccn(C)n3)n3ncc(C#N)c3n2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-7-[(1-methylpyrazol-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is GPDNKMBIWFHBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N7O/c1-24-8-7-16(23-24)22-17-9-15(12-3-5-14(26-2)6-4-12)21-18-13(10-19)11-20-25(17)18/h3-9,11H,1-2H3,(H,22,23).
What are the key properties of 5-(4-methoxyphenyl)-7-[(1-methylpyrazol-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
5-(4-methoxyphenyl)-7-[(1-methylpyrazol-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 345.37 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-7-[(1-methylpyrazol-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 70694813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).