7-(1-methylpyrazol-4-yl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

C16H17N5 — CID 136709452

IUPAC7-(1-methylpyrazol-4-yl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCn1cc(C2CCNc3cc(-c4ccccc4)nn32)cn1
InChIInChI=1S/C16H17N5/c1-20-11-13(10-18-20)15-7-8-17-16-9-14(19-21(15)16)12-5-3-2-4-6-12/h2-6,9-11,15,17H,7-8H2,1H3
InChIKeyFQNKIFPSWRTTMA-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.69
Rot. Bonds2

About 7-(1-methylpyrazol-4-yl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

7-(1-methylpyrazol-4-yl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136709452) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is 7-(1-methylpyrazol-4-yl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(1-methylpyrazol-4-yl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136709452
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name7-(1-methylpyrazol-4-yl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCn1cc(C2CCNc3cc(-c4ccccc4)nn32)cn1
InChIInChI=1S/C16H17N5/c1-20-11-13(10-18-20)15-7-8-17-16-9-14(19-21(15)16)12-5-3-2-4-6-12/h2-6,9-11,15,17H,7-8H2,1H3
InChIKeyFQNKIFPSWRTTMA-UHFFFAOYSA-N
XLogP2.69
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(1-methylpyrazol-4-yl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(1-methylpyrazol-4-yl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136709452) is 7-(1-methylpyrazol-4-yl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(1-methylpyrazol-4-yl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(1-methylpyrazol-4-yl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is Cn1cc(C2CCNc3cc(-c4ccccc4)nn32)cn1.
What is the InChIKey of 7-(1-methylpyrazol-4-yl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is FQNKIFPSWRTTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-20-11-13(10-18-20)15-7-8-17-16-9-14(19-21(15)16)12-5-3-2-4-6-12/h2-6,9-11,15,17H,7-8H2,1H3.
What are the key properties of 7-(1-methylpyrazol-4-yl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
7-(1-methylpyrazol-4-yl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 279.35 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-methylpyrazol-4-yl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136709452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).