7-(imidazol-1-ylmethyl)-3-(2-methoxy-4-pyrazol-1-ylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine

C22H21N7O — CID 59026289

IUPAC7-(imidazol-1-ylmethyl)-3-(2-methoxy-4-pyrazol-1-ylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCOc1cc(-n2cccn2)ccc1-c1c(C)nn2c(Cn3ccnc3)cc(C)nc12
InChIInChI=1S/C22H21N7O/c1-15-11-18(13-27-10-8-23-14-27)29-22(25-15)21(16(2)26-29)19-6-5-17(12-20(19)30-3)28-9-4-7-24-28/h4-12,14H,13H2,1-3H3
InChIKeyRVEDZJHOPIXRQC-UHFFFAOYSA-N
MW399.46 g/mol
LogP3.45
Rot. Bonds5

About 7-(imidazol-1-ylmethyl)-3-(2-methoxy-4-pyrazol-1-ylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine

7-(imidazol-1-ylmethyl)-3-(2-methoxy-4-pyrazol-1-ylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine (PubChem CID 59026289) has the molecular formula C22H21N7O and a molecular weight of 399.46 g/mol. Its IUPAC name is 7-(imidazol-1-ylmethyl)-3-(2-methoxy-4-pyrazol-1-ylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(imidazol-1-ylmethyl)-3-(2-methoxy-4-pyrazol-1-ylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
PubChem CID59026289
Molecular FormulaC22H21N7O
Molecular Weight399.46 g/mol
Exact Mass399.18
IUPAC Name7-(imidazol-1-ylmethyl)-3-(2-methoxy-4-pyrazol-1-ylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCOc1cc(-n2cccn2)ccc1-c1c(C)nn2c(Cn3ccnc3)cc(C)nc12
InChIInChI=1S/C22H21N7O/c1-15-11-18(13-27-10-8-23-14-27)29-22(25-15)21(16(2)26-29)19-6-5-17(12-20(19)30-3)28-9-4-7-24-28/h4-12,14H,13H2,1-3H3
InChIKeyRVEDZJHOPIXRQC-UHFFFAOYSA-N
XLogP3.45
TPSA75.06 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-(imidazol-1-ylmethyl)-3-(2-methoxy-4-pyrazol-1-ylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(imidazol-1-ylmethyl)-3-(2-methoxy-4-pyrazol-1-ylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine (CID 59026289) is 7-(imidazol-1-ylmethyl)-3-(2-methoxy-4-pyrazol-1-ylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(imidazol-1-ylmethyl)-3-(2-methoxy-4-pyrazol-1-ylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(imidazol-1-ylmethyl)-3-(2-methoxy-4-pyrazol-1-ylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine is COc1cc(-n2cccn2)ccc1-c1c(C)nn2c(Cn3ccnc3)cc(C)nc12.
What is the InChIKey of 7-(imidazol-1-ylmethyl)-3-(2-methoxy-4-pyrazol-1-ylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine?
The InChIKey is RVEDZJHOPIXRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O/c1-15-11-18(13-27-10-8-23-14-27)29-22(25-15)21(16(2)26-29)19-6-5-17(12-20(19)30-3)28-9-4-7-24-28/h4-12,14H,13H2,1-3H3.
What are the key properties of 7-(imidazol-1-ylmethyl)-3-(2-methoxy-4-pyrazol-1-ylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine?
7-(imidazol-1-ylmethyl)-3-(2-methoxy-4-pyrazol-1-ylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine has a molecular weight of 399.46 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(imidazol-1-ylmethyl)-3-(2-methoxy-4-pyrazol-1-ylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 59026289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).