2,3-dimethyl-5-[(1-methyl-4-phenylimidazol-2-yl)methoxy]pyrazolo[1,5-a]pyrimidine

C19H19N5O — CID 122693994

IUPAC2,3-dimethyl-5-[(1-methyl-4-phenylimidazol-2-yl)methoxy]pyrazolo[1,5-a]pyrimidine
SMILESCc1nn2ccc(OCc3nc(-c4ccccc4)cn3C)nc2c1C
InChIInChI=1S/C19H19N5O/c1-13-14(2)22-24-10-9-18(21-19(13)24)25-12-17-20-16(11-23(17)3)15-7-5-4-6-8-15/h4-11H,12H2,1-3H3
InChIKeyCQULEOWGMWPMSA-UHFFFAOYSA-N
MW333.40 g/mol
LogP3.33
Rot. Bonds4

About 2,3-dimethyl-5-[(1-methyl-4-phenylimidazol-2-yl)methoxy]pyrazolo[1,5-a]pyrimidine

2,3-dimethyl-5-[(1-methyl-4-phenylimidazol-2-yl)methoxy]pyrazolo[1,5-a]pyrimidine (PubChem CID 122693994) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is 2,3-dimethyl-5-[(1-methyl-4-phenylimidazol-2-yl)methoxy]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2,3-dimethyl-5-[(1-methyl-4-phenylimidazol-2-yl)methoxy]pyrazolo[1,5-a]pyrimidine
PubChem CID122693994
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name2,3-dimethyl-5-[(1-methyl-4-phenylimidazol-2-yl)methoxy]pyrazolo[1,5-a]pyrimidine
SMILESCc1nn2ccc(OCc3nc(-c4ccccc4)cn3C)nc2c1C
InChIInChI=1S/C19H19N5O/c1-13-14(2)22-24-10-9-18(21-19(13)24)25-12-17-20-16(11-23(17)3)15-7-5-4-6-8-15/h4-11H,12H2,1-3H3
InChIKeyCQULEOWGMWPMSA-UHFFFAOYSA-N
XLogP3.33
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-[(1-methyl-4-phenylimidazol-2-yl)methoxy]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2,3-dimethyl-5-[(1-methyl-4-phenylimidazol-2-yl)methoxy]pyrazolo[1,5-a]pyrimidine (CID 122693994) is 2,3-dimethyl-5-[(1-methyl-4-phenylimidazol-2-yl)methoxy]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2,3-dimethyl-5-[(1-methyl-4-phenylimidazol-2-yl)methoxy]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2,3-dimethyl-5-[(1-methyl-4-phenylimidazol-2-yl)methoxy]pyrazolo[1,5-a]pyrimidine is Cc1nn2ccc(OCc3nc(-c4ccccc4)cn3C)nc2c1C.
What is the InChIKey of 2,3-dimethyl-5-[(1-methyl-4-phenylimidazol-2-yl)methoxy]pyrazolo[1,5-a]pyrimidine?
The InChIKey is CQULEOWGMWPMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-13-14(2)22-24-10-9-18(21-19(13)24)25-12-17-20-16(11-23(17)3)15-7-5-4-6-8-15/h4-11H,12H2,1-3H3.
What are the key properties of 2,3-dimethyl-5-[(1-methyl-4-phenylimidazol-2-yl)methoxy]pyrazolo[1,5-a]pyrimidine?
2,3-dimethyl-5-[(1-methyl-4-phenylimidazol-2-yl)methoxy]pyrazolo[1,5-a]pyrimidine has a molecular weight of 333.40 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-[(1-methyl-4-phenylimidazol-2-yl)methoxy]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 122693994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).