7-(3,5-dimethylpyrazol-1-yl)-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine

C19H19N5 — CID 3823661

IUPAC7-(3,5-dimethylpyrazol-1-yl)-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(-n2nc(C)cc2C)n2nc(C)c(-c3ccccc3)c2n1
InChIInChI=1S/C19H19N5/c1-12-11-17(23-14(3)10-13(2)21-23)24-19(20-12)18(15(4)22-24)16-8-6-5-7-9-16/h5-11H,1-4H3
InChIKeyAHHDQRWZWFJIOG-UHFFFAOYSA-N
MW317.40 g/mol
LogP3.82
Rot. Bonds2

About 7-(3,5-dimethylpyrazol-1-yl)-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine

7-(3,5-dimethylpyrazol-1-yl)-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine (PubChem CID 3823661) has the molecular formula C19H19N5 and a molecular weight of 317.40 g/mol. Its IUPAC name is 7-(3,5-dimethylpyrazol-1-yl)-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(3,5-dimethylpyrazol-1-yl)-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine
PubChem CID3823661
Molecular FormulaC19H19N5
Molecular Weight317.40 g/mol
Exact Mass317.16
IUPAC Name7-(3,5-dimethylpyrazol-1-yl)-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(-n2nc(C)cc2C)n2nc(C)c(-c3ccccc3)c2n1
InChIInChI=1S/C19H19N5/c1-12-11-17(23-14(3)10-13(2)21-23)24-19(20-12)18(15(4)22-24)16-8-6-5-7-9-16/h5-11H,1-4H3
InChIKeyAHHDQRWZWFJIOG-UHFFFAOYSA-N
XLogP3.82
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethylpyrazol-1-yl)-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(3,5-dimethylpyrazol-1-yl)-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine (CID 3823661) is 7-(3,5-dimethylpyrazol-1-yl)-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(3,5-dimethylpyrazol-1-yl)-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(3,5-dimethylpyrazol-1-yl)-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine is Cc1cc(-n2nc(C)cc2C)n2nc(C)c(-c3ccccc3)c2n1.
What is the InChIKey of 7-(3,5-dimethylpyrazol-1-yl)-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine?
The InChIKey is AHHDQRWZWFJIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5/c1-12-11-17(23-14(3)10-13(2)21-23)24-19(20-12)18(15(4)22-24)16-8-6-5-7-9-16/h5-11H,1-4H3.
What are the key properties of 7-(3,5-dimethylpyrazol-1-yl)-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine?
7-(3,5-dimethylpyrazol-1-yl)-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine has a molecular weight of 317.40 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethylpyrazol-1-yl)-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 3823661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).