7-amino-3-(3,4-dimethoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile

C16H15N5O2 — CID 2988155

IUPAC7-amino-3-(3,4-dimethoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESCOc1ccc(-c2c(C)nn3c(N)c(C#N)cnc23)cc1OC
InChIInChI=1S/C16H15N5O2/c1-9-14(10-4-5-12(22-2)13(6-10)23-3)16-19-8-11(7-17)15(18)21(16)20-9/h4-6,8H,18H2,1-3H3
InChIKeyXRACNDLDEFBNBB-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.18
Rot. Bonds3

About 7-amino-3-(3,4-dimethoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile

7-amino-3-(3,4-dimethoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile (PubChem CID 2988155) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 7-amino-3-(3,4-dimethoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name7-amino-3-(3,4-dimethoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
PubChem CID2988155
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name7-amino-3-(3,4-dimethoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESCOc1ccc(-c2c(C)nn3c(N)c(C#N)cnc23)cc1OC
InChIInChI=1S/C16H15N5O2/c1-9-14(10-4-5-12(22-2)13(6-10)23-3)16-19-8-11(7-17)15(18)21(16)20-9/h4-6,8H,18H2,1-3H3
InChIKeyXRACNDLDEFBNBB-UHFFFAOYSA-N
XLogP2.18
TPSA98.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-amino-3-(3,4-dimethoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The IUPAC name of 7-amino-3-(3,4-dimethoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile (CID 2988155) is 7-amino-3-(3,4-dimethoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile.
What is the SMILES notation for 7-amino-3-(3,4-dimethoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The canonical SMILES for 7-amino-3-(3,4-dimethoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile is COc1ccc(-c2c(C)nn3c(N)c(C#N)cnc23)cc1OC.
What is the InChIKey of 7-amino-3-(3,4-dimethoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The InChIKey is XRACNDLDEFBNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-9-14(10-4-5-12(22-2)13(6-10)23-3)16-19-8-11(7-17)15(18)21(16)20-9/h4-6,8H,18H2,1-3H3.
What are the key properties of 7-amino-3-(3,4-dimethoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
7-amino-3-(3,4-dimethoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile has a molecular weight of 309.33 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-3-(3,4-dimethoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile is sourced from PubChem (CID 2988155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).