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

C20H21N5 — CID 118278207

IUPAC2,3-dimethyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine
SMILESCc1nn2ccc(CCc3nc(-c4ccccc4)cn3C)nc2c1C
InChIInChI=1S/C20H21N5/c1-14-15(2)23-25-12-11-17(21-20(14)25)9-10-19-22-18(13-24(19)3)16-7-5-4-6-8-16/h4-8,11-13H,9-10H2,1-3H3
InChIKeyBKGJKVUEEVHSOB-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.53
Rot. Bonds4

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

2,3-dimethyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine (PubChem CID 118278207) has the molecular formula C20H21N5 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2,3-dimethyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2,3-dimethyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine
PubChem CID118278207
Molecular FormulaC20H21N5
Molecular Weight331.42 g/mol
Exact Mass331.18
IUPAC Name2,3-dimethyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine
SMILESCc1nn2ccc(CCc3nc(-c4ccccc4)cn3C)nc2c1C
InChIInChI=1S/C20H21N5/c1-14-15(2)23-25-12-11-17(21-20(14)25)9-10-19-22-18(13-24(19)3)16-7-5-4-6-8-16/h4-8,11-13H,9-10H2,1-3H3
InChIKeyBKGJKVUEEVHSOB-UHFFFAOYSA-N
XLogP3.53
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2,3-dimethyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine (CID 118278207) is 2,3-dimethyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2,3-dimethyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2,3-dimethyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine is Cc1nn2ccc(CCc3nc(-c4ccccc4)cn3C)nc2c1C.
What is the InChIKey of 2,3-dimethyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is BKGJKVUEEVHSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5/c1-14-15(2)23-25-12-11-17(21-20(14)25)9-10-19-22-18(13-24(19)3)16-7-5-4-6-8-16/h4-8,11-13H,9-10H2,1-3H3.
What are the key properties of 2,3-dimethyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine?
2,3-dimethyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 331.42 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 118278207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).