2-ethyl-5-[3-(2-methylimidazol-1-yl)propyl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C21H23N5O — CID 98133033

IUPAC2-ethyl-5-[3-(2-methylimidazol-1-yl)propyl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1[nH]n2c(=O)cc(CCCn3ccnc3C)nc2c1-c1ccccc1
InChIInChI=1S/C21H23N5O/c1-3-18-20(16-8-5-4-6-9-16)21-23-17(14-19(27)26(21)24-18)10-7-12-25-13-11-22-15(25)2/h4-6,8-9,11,13-14,24H,3,7,10,12H2,1-2H3
InChIKeySINSVNFTEWQMAV-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.39
Rot. Bonds6

About 2-ethyl-5-[3-(2-methylimidazol-1-yl)propyl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

2-ethyl-5-[3-(2-methylimidazol-1-yl)propyl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 98133033) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-ethyl-5-[3-(2-methylimidazol-1-yl)propyl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-ethyl-5-[3-(2-methylimidazol-1-yl)propyl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID98133033
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name2-ethyl-5-[3-(2-methylimidazol-1-yl)propyl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1[nH]n2c(=O)cc(CCCn3ccnc3C)nc2c1-c1ccccc1
InChIInChI=1S/C21H23N5O/c1-3-18-20(16-8-5-4-6-9-16)21-23-17(14-19(27)26(21)24-18)10-7-12-25-13-11-22-15(25)2/h4-6,8-9,11,13-14,24H,3,7,10,12H2,1-2H3
InChIKeySINSVNFTEWQMAV-UHFFFAOYSA-N
XLogP3.39
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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2-methyl-5-phenyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[3-(2-methylimidazol-1-yl)propyl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-ethyl-5-[3-(2-methylimidazol-1-yl)propyl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 98133033) is 2-ethyl-5-[3-(2-methylimidazol-1-yl)propyl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-ethyl-5-[3-(2-methylimidazol-1-yl)propyl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-ethyl-5-[3-(2-methylimidazol-1-yl)propyl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCc1[nH]n2c(=O)cc(CCCn3ccnc3C)nc2c1-c1ccccc1.
What is the InChIKey of 2-ethyl-5-[3-(2-methylimidazol-1-yl)propyl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is SINSVNFTEWQMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-3-18-20(16-8-5-4-6-9-16)21-23-17(14-19(27)26(21)24-18)10-7-12-25-13-11-22-15(25)2/h4-6,8-9,11,13-14,24H,3,7,10,12H2,1-2H3.
What are the key properties of 2-ethyl-5-[3-(2-methylimidazol-1-yl)propyl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-ethyl-5-[3-(2-methylimidazol-1-yl)propyl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 361.45 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[3-(2-methylimidazol-1-yl)propyl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 98133033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).