5-tert-butyl-7-(2-methylimidazol-1-yl)-3-phenylpyrazolo[1,5-a]pyrimidine

C20H21N5 — CID 4898792

IUPAC5-tert-butyl-7-(2-methylimidazol-1-yl)-3-phenylpyrazolo[1,5-a]pyrimidine
SMILESCc1nccn1-c1cc(C(C)(C)C)nc2c(-c3ccccc3)cnn12
InChIInChI=1S/C20H21N5/c1-14-21-10-11-24(14)18-12-17(20(2,3)4)23-19-16(13-22-25(18)19)15-8-6-5-7-9-15/h5-13H,1-4H3
InChIKeyMXSBVRIRAGTFCX-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.19
Rot. Bonds2

About 5-tert-butyl-7-(2-methylimidazol-1-yl)-3-phenylpyrazolo[1,5-a]pyrimidine

5-tert-butyl-7-(2-methylimidazol-1-yl)-3-phenylpyrazolo[1,5-a]pyrimidine (PubChem CID 4898792) has the molecular formula C20H21N5 and a molecular weight of 331.42 g/mol. Its IUPAC name is 5-tert-butyl-7-(2-methylimidazol-1-yl)-3-phenylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-tert-butyl-7-(2-methylimidazol-1-yl)-3-phenylpyrazolo[1,5-a]pyrimidine
PubChem CID4898792
Molecular FormulaC20H21N5
Molecular Weight331.42 g/mol
Exact Mass331.18
IUPAC Name5-tert-butyl-7-(2-methylimidazol-1-yl)-3-phenylpyrazolo[1,5-a]pyrimidine
SMILESCc1nccn1-c1cc(C(C)(C)C)nc2c(-c3ccccc3)cnn12
InChIInChI=1S/C20H21N5/c1-14-21-10-11-24(14)18-12-17(20(2,3)4)23-19-16(13-22-25(18)19)15-8-6-5-7-9-15/h5-13H,1-4H3
InChIKeyMXSBVRIRAGTFCX-UHFFFAOYSA-N
XLogP4.19
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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5-Cyclopropyl-2-(1-((2-fluorophenyl)methyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)-4-pyrimidinamine
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R121919
CID 9821250
Fazadinium Bromide
CID 6321422

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-7-(2-methylimidazol-1-yl)-3-phenylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-tert-butyl-7-(2-methylimidazol-1-yl)-3-phenylpyrazolo[1,5-a]pyrimidine (CID 4898792) is 5-tert-butyl-7-(2-methylimidazol-1-yl)-3-phenylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-tert-butyl-7-(2-methylimidazol-1-yl)-3-phenylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-tert-butyl-7-(2-methylimidazol-1-yl)-3-phenylpyrazolo[1,5-a]pyrimidine is Cc1nccn1-c1cc(C(C)(C)C)nc2c(-c3ccccc3)cnn12.
What is the InChIKey of 5-tert-butyl-7-(2-methylimidazol-1-yl)-3-phenylpyrazolo[1,5-a]pyrimidine?
The InChIKey is MXSBVRIRAGTFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5/c1-14-21-10-11-24(14)18-12-17(20(2,3)4)23-19-16(13-22-25(18)19)15-8-6-5-7-9-15/h5-13H,1-4H3.
What are the key properties of 5-tert-butyl-7-(2-methylimidazol-1-yl)-3-phenylpyrazolo[1,5-a]pyrimidine?
5-tert-butyl-7-(2-methylimidazol-1-yl)-3-phenylpyrazolo[1,5-a]pyrimidine has a molecular weight of 331.42 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-7-(2-methylimidazol-1-yl)-3-phenylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 4898792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).