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

C14H11N5O — CID 70686471

IUPAC7-amino-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCOc1ccc(-c2cc(N)n3ncc(C#N)c3n2)cc1
InChIInChI=1S/C14H11N5O/c1-20-11-4-2-9(3-5-11)12-6-13(16)19-14(18-12)10(7-15)8-17-19/h2-6,8H,16H2,1H3
InChIKeyQHSBQHSGTFDHBA-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.86
Rot. Bonds2

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

7-amino-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 70686471) has the molecular formula C14H11N5O and a molecular weight of 265.28 g/mol. Its IUPAC name is 7-amino-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name7-amino-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID70686471
Molecular FormulaC14H11N5O
Molecular Weight265.28 g/mol
Exact Mass265.10
IUPAC Name7-amino-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCOc1ccc(-c2cc(N)n3ncc(C#N)c3n2)cc1
InChIInChI=1S/C14H11N5O/c1-20-11-4-2-9(3-5-11)12-6-13(16)19-14(18-12)10(7-15)8-17-19/h2-6,8H,16H2,1H3
InChIKeyQHSBQHSGTFDHBA-UHFFFAOYSA-N
XLogP1.86
TPSA89.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Pexacerfont
CID 9884366
3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 9884878
5-(4-Methoxyphenyl)-N-(4-(4-methylpiperazin-1-yl)phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 44556112
6-(4-Methoxyphenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 5329457
6-(4-Methoxyphenyl)-3-(pyridin-3-yl)pyrazolo[1,5-a]pyrimidine
CID 5329458
Pyrazolo[1,5-a]-1,3,5-triazin-4-amine,8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethyl-N-[(1S)-1-methylpropyl]-
CID 42618221
(2S)-1-[2-(difluoromethyl)-4-pyrazolo[1,5-a]pyrimidin-7-ylphenoxy]-2,4-dimethylpentan-2-amine
CID 135284803
7-Amino-3-(3,4-dimethoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 2988155
7-(4-Methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine
CID 4773323
N-cyclopentyl-3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4973866
5-(4-Methoxyphenyl)-7-[(1-methylpyrazol-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 70694813
2-(4-Methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 754731

Frequently Asked Questions

What is the IUPAC name of 7-amino-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 7-amino-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 70686471) is 7-amino-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 7-amino-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 7-amino-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile is COc1ccc(-c2cc(N)n3ncc(C#N)c3n2)cc1.
What is the InChIKey of 7-amino-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is QHSBQHSGTFDHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O/c1-20-11-4-2-9(3-5-11)12-6-13(16)19-14(18-12)10(7-15)8-17-19/h2-6,8H,16H2,1H3.
What are the key properties of 7-amino-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
7-amino-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 265.28 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 70686471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).