7-amino-5-(5-methylfuran-2-yl)-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile

C19H15N5O — CID 25021021

IUPAC7-amino-5-(5-methylfuran-2-yl)-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESCc1cccc(-c2cc3nc(-c4ccc(C)o4)c(C#N)c(N)n3n2)c1
InChIInChI=1S/C19H15N5O/c1-11-4-3-5-13(8-11)15-9-17-22-18(16-7-6-12(2)25-16)14(10-20)19(21)24(17)23-15/h3-9H,21H2,1-2H3
InChIKeyNSJARZPGDNCCFN-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.73
Rot. Bonds2

About 7-amino-5-(5-methylfuran-2-yl)-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile

7-amino-5-(5-methylfuran-2-yl)-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile (PubChem CID 25021021) has the molecular formula C19H15N5O and a molecular weight of 329.36 g/mol. Its IUPAC name is 7-amino-5-(5-methylfuran-2-yl)-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name7-amino-5-(5-methylfuran-2-yl)-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile
PubChem CID25021021
Molecular FormulaC19H15N5O
Molecular Weight329.36 g/mol
Exact Mass329.13
IUPAC Name7-amino-5-(5-methylfuran-2-yl)-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESCc1cccc(-c2cc3nc(-c4ccc(C)o4)c(C#N)c(N)n3n2)c1
InChIInChI=1S/C19H15N5O/c1-11-4-3-5-13(8-11)15-9-17-22-18(16-7-6-12(2)25-16)14(10-20)19(21)24(17)23-15/h3-9H,21H2,1-2H3
InChIKeyNSJARZPGDNCCFN-UHFFFAOYSA-N
XLogP3.73
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-6-(3-methoxyphenyl)-4-(5-methylfuran-2-yl)pyridine-3-carbonitrile
CID 4636256
6-amino-4-chloro-2-(5-methylfuran-2-yl)pyridine-3-carbonitrile
CID 155446033
2-amino-6-methyl-4-(3-methylphenyl)pyridine-3-carbonitrile
CID 4632984
2-amino-6-(4-bromophenyl)-4-(3-methylphenyl)pyridine-3-carbonitrile
CID 3395709
7-amino-2-methyl-5-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carbonitrile
CID 161139872
2-amino-6-(4-fluorophenyl)-4-(5-methylfuran-2-yl)pyridine-3-carbonitrile
CID 665592
2-amino-4-(3-methylphenyl)-6-(3-nitrophenyl)pyridine-3-carbonitrile
CID 5209576
4,6-bis(3-methylphenyl)pyrimidin-2-amine
CID 75360131
2-amino-6-(4-fluorophenyl)-5-methyl-4-(3-methylphenyl)pyridine-3-carbonitrile
CID 5159717
7-(3-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate
CID 22090601
2-amino-4-ethoxy-6-(5-methylfuran-2-yl)pyrimidine-5-carbonitrile
CID 18507302
3-(5-methylfuran-2-yl)benzonitrile
CID 4058362

Frequently Asked Questions

What is the IUPAC name of 7-amino-5-(5-methylfuran-2-yl)-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The IUPAC name of 7-amino-5-(5-methylfuran-2-yl)-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile (CID 25021021) is 7-amino-5-(5-methylfuran-2-yl)-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile.
What is the SMILES notation for 7-amino-5-(5-methylfuran-2-yl)-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The canonical SMILES for 7-amino-5-(5-methylfuran-2-yl)-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile is Cc1cccc(-c2cc3nc(-c4ccc(C)o4)c(C#N)c(N)n3n2)c1.
What is the InChIKey of 7-amino-5-(5-methylfuran-2-yl)-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The InChIKey is NSJARZPGDNCCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O/c1-11-4-3-5-13(8-11)15-9-17-22-18(16-7-6-12(2)25-16)14(10-20)19(21)24(17)23-15/h3-9H,21H2,1-2H3.
What are the key properties of 7-amino-5-(5-methylfuran-2-yl)-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile?
7-amino-5-(5-methylfuran-2-yl)-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile has a molecular weight of 329.36 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-5-(5-methylfuran-2-yl)-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile is sourced from PubChem (CID 25021021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).