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

C16H19N3 — CID 136709454

IUPAC7-(1-methylcyclopropyl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCC1(C2CCNc3cc(-c4ccccc4)nn32)CC1
InChIInChI=1S/C16H19N3/c1-16(8-9-16)14-7-10-17-15-11-13(18-19(14)15)12-5-3-2-4-6-12/h2-6,11,14,17H,7-10H2,1H3
InChIKeyPZNDIODFAZFSCS-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.71
Rot. Bonds2

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

7-(1-methylcyclopropyl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (PubChem CID 136709454) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 7-(1-methylcyclopropyl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(1-methylcyclopropyl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
PubChem CID136709454
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name7-(1-methylcyclopropyl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SMILESCC1(C2CCNc3cc(-c4ccccc4)nn32)CC1
InChIInChI=1S/C16H19N3/c1-16(8-9-16)14-7-10-17-15-11-13(18-19(14)15)12-5-3-2-4-6-12/h2-6,11,14,17H,7-10H2,1H3
InChIKeyPZNDIODFAZFSCS-UHFFFAOYSA-N
XLogP3.71
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(1-methylcyclopropyl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(1-methylcyclopropyl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine (CID 136709454) is 7-(1-methylcyclopropyl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(1-methylcyclopropyl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(1-methylcyclopropyl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is CC1(C2CCNc3cc(-c4ccccc4)nn32)CC1.
What is the InChIKey of 7-(1-methylcyclopropyl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
The InChIKey is PZNDIODFAZFSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-16(8-9-16)14-7-10-17-15-11-13(18-19(14)15)12-5-3-2-4-6-12/h2-6,11,14,17H,7-10H2,1H3.
What are the key properties of 7-(1-methylcyclopropyl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine?
7-(1-methylcyclopropyl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine has a molecular weight of 253.35 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-methylcyclopropyl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136709454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).