7-imidazol-1-yl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine

C17H15N5 — CID 4201948

IUPAC7-imidazol-1-yl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(-n2ccnc2)n2nc(C)c(-c3ccccc3)c2n1
InChIInChI=1S/C17H15N5/c1-12-10-15(21-9-8-18-11-21)22-17(19-12)16(13(2)20-22)14-6-4-3-5-7-14/h3-11H,1-2H3
InChIKeyCZRVAIYXZITTLB-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.20
Rot. Bonds2

About 7-imidazol-1-yl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine

7-imidazol-1-yl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine (PubChem CID 4201948) has the molecular formula C17H15N5 and a molecular weight of 289.34 g/mol. Its IUPAC name is 7-imidazol-1-yl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-imidazol-1-yl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine
PubChem CID4201948
Molecular FormulaC17H15N5
Molecular Weight289.34 g/mol
Exact Mass289.13
IUPAC Name7-imidazol-1-yl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(-n2ccnc2)n2nc(C)c(-c3ccccc3)c2n1
InChIInChI=1S/C17H15N5/c1-12-10-15(21-9-8-18-11-21)22-17(19-12)16(13(2)20-22)14-6-4-3-5-7-14/h3-11H,1-2H3
InChIKeyCZRVAIYXZITTLB-UHFFFAOYSA-N
XLogP3.20
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-imidazol-1-yl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-imidazol-1-yl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine (CID 4201948) is 7-imidazol-1-yl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-imidazol-1-yl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-imidazol-1-yl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine is Cc1cc(-n2ccnc2)n2nc(C)c(-c3ccccc3)c2n1.
What is the InChIKey of 7-imidazol-1-yl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine?
The InChIKey is CZRVAIYXZITTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5/c1-12-10-15(21-9-8-18-11-21)22-17(19-12)16(13(2)20-22)14-6-4-3-5-7-14/h3-11H,1-2H3.
What are the key properties of 7-imidazol-1-yl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine?
7-imidazol-1-yl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine has a molecular weight of 289.34 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-imidazol-1-yl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 4201948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).