3-(1-methylpyrazol-4-yl)-N-(4-nitrosophenyl)pyrazolo[1,5-a]pyrimidin-5-amine

C16H13N7O — CID 89301431

IUPAC3-(1-methylpyrazol-4-yl)-N-(4-nitrosophenyl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCn1cc(-c2cnn3ccc(Nc4ccc(N=O)cc4)nc23)cn1
InChIInChI=1S/C16H13N7O/c1-22-10-11(8-17-22)14-9-18-23-7-6-15(20-16(14)23)19-12-2-4-13(21-24)5-3-12/h2-10H,1H3,(H,19,20)
InChIKeyPJLMPQOINMQTQS-UHFFFAOYSA-N
MW319.33 g/mol
LogP3.27
Rot. Bonds4

About 3-(1-methylpyrazol-4-yl)-N-(4-nitrosophenyl)pyrazolo[1,5-a]pyrimidin-5-amine

3-(1-methylpyrazol-4-yl)-N-(4-nitrosophenyl)pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 89301431) has the molecular formula C16H13N7O and a molecular weight of 319.33 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-N-(4-nitrosophenyl)pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-N-(4-nitrosophenyl)pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID89301431
Molecular FormulaC16H13N7O
Molecular Weight319.33 g/mol
Exact Mass319.12
IUPAC Name3-(1-methylpyrazol-4-yl)-N-(4-nitrosophenyl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCn1cc(-c2cnn3ccc(Nc4ccc(N=O)cc4)nc23)cn1
InChIInChI=1S/C16H13N7O/c1-22-10-11(8-17-22)14-9-18-23-7-6-15(20-16(14)23)19-12-2-4-13(21-24)5-3-12/h2-10H,1H3,(H,19,20)
InChIKeyPJLMPQOINMQTQS-UHFFFAOYSA-N
XLogP3.27
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-N-(4-nitrosophenyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-N-(4-nitrosophenyl)pyrazolo[1,5-a]pyrimidin-5-amine (CID 89301431) is 3-(1-methylpyrazol-4-yl)-N-(4-nitrosophenyl)pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-N-(4-nitrosophenyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-N-(4-nitrosophenyl)pyrazolo[1,5-a]pyrimidin-5-amine is Cn1cc(-c2cnn3ccc(Nc4ccc(N=O)cc4)nc23)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-N-(4-nitrosophenyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is PJLMPQOINMQTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N7O/c1-22-10-11(8-17-22)14-9-18-23-7-6-15(20-16(14)23)19-12-2-4-13(21-24)5-3-12/h2-10H,1H3,(H,19,20).
What are the key properties of 3-(1-methylpyrazol-4-yl)-N-(4-nitrosophenyl)pyrazolo[1,5-a]pyrimidin-5-amine?
3-(1-methylpyrazol-4-yl)-N-(4-nitrosophenyl)pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 319.33 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-N-(4-nitrosophenyl)pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 89301431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).