4-[3-[1-[(1-ethylimidazol-2-yl)methyl]pyrazol-3-yl]phenyl]-2,5-dimethylpyrimidine

C21H22N6 — CID 28822694

IUPAC4-[3-[1-[(1-ethylimidazol-2-yl)methyl]pyrazol-3-yl]phenyl]-2,5-dimethylpyrimidine
SMILESCCn1ccnc1Cn1ccc(-c2cccc(-c3nc(C)ncc3C)c2)n1
InChIInChI=1S/C21H22N6/c1-4-26-11-9-22-20(26)14-27-10-8-19(25-27)17-6-5-7-18(12-17)21-15(2)13-23-16(3)24-21/h5-13H,4,14H2,1-3H3
InChIKeyPZOVAZGCGBBKJZ-UHFFFAOYSA-N
MW358.45 g/mol
LogP3.89
Rot. Bonds5

About 4-[3-[1-[(1-ethylimidazol-2-yl)methyl]pyrazol-3-yl]phenyl]-2,5-dimethylpyrimidine

4-[3-[1-[(1-ethylimidazol-2-yl)methyl]pyrazol-3-yl]phenyl]-2,5-dimethylpyrimidine (PubChem CID 28822694) has the molecular formula C21H22N6 and a molecular weight of 358.45 g/mol. Its IUPAC name is 4-[3-[1-[(1-ethylimidazol-2-yl)methyl]pyrazol-3-yl]phenyl]-2,5-dimethylpyrimidine.

Molecular Properties

Compound Name4-[3-[1-[(1-ethylimidazol-2-yl)methyl]pyrazol-3-yl]phenyl]-2,5-dimethylpyrimidine
PubChem CID28822694
Molecular FormulaC21H22N6
Molecular Weight358.45 g/mol
Exact Mass358.19
IUPAC Name4-[3-[1-[(1-ethylimidazol-2-yl)methyl]pyrazol-3-yl]phenyl]-2,5-dimethylpyrimidine
SMILESCCn1ccnc1Cn1ccc(-c2cccc(-c3nc(C)ncc3C)c2)n1
InChIInChI=1S/C21H22N6/c1-4-26-11-9-22-20(26)14-27-10-8-19(25-27)17-6-5-7-18(12-17)21-15(2)13-23-16(3)24-21/h5-13H,4,14H2,1-3H3
InChIKeyPZOVAZGCGBBKJZ-UHFFFAOYSA-N
XLogP3.89
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-3-[3-[1-[(3-methyl-2-pyridinyl)methyl]pyrazol-3-yl]phenyl]pyrazine
CID 29151786
2-[3-(1-ethylpyrazol-3-yl)phenyl]-1,3-thiazole
CID 29150984
4,6-dimethyl-2-[3-[1-[(3-methyl-4-pyridinyl)methyl]pyrazol-3-yl]phenyl]pyrimidine
CID 29057238
4-[3-[1-(cyclopropylmethyl)pyrazol-3-yl]phenyl]-2-methylpyrimidine
CID 29029041
3-(2,5-dimethylpyrimidin-4-yl)-N,N-dimethylaniline
CID 121499473
3-methoxy-6-[3-[1-[(3-methyl-2-pyridinyl)methyl]pyrazol-3-yl]phenyl]pyridazine
CID 30897324
1-[(1-ethylimidazol-2-yl)methyl]-3-methylpyridin-2-one
CID 115616696
2,5-dimethyl-3-[3-[1-(2-methylprop-2-enyl)pyrazol-3-yl]phenyl]pyrazine
CID 29257494
1-[(1-ethylimidazol-2-yl)methyl]-4-methylindole
CID 116620242
2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-6-(3-methylphenyl)pyridine
CID 95810615
2,5-dimethyl-3-[3-[1-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrazol-3-yl]phenyl]pyrazine
CID 30936152
N-[(1-ethylimidazol-2-yl)methyl]-N,5-dimethyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 45207957

Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-[(1-ethylimidazol-2-yl)methyl]pyrazol-3-yl]phenyl]-2,5-dimethylpyrimidine?
The IUPAC name of 4-[3-[1-[(1-ethylimidazol-2-yl)methyl]pyrazol-3-yl]phenyl]-2,5-dimethylpyrimidine (CID 28822694) is 4-[3-[1-[(1-ethylimidazol-2-yl)methyl]pyrazol-3-yl]phenyl]-2,5-dimethylpyrimidine.
What is the SMILES notation for 4-[3-[1-[(1-ethylimidazol-2-yl)methyl]pyrazol-3-yl]phenyl]-2,5-dimethylpyrimidine?
The canonical SMILES for 4-[3-[1-[(1-ethylimidazol-2-yl)methyl]pyrazol-3-yl]phenyl]-2,5-dimethylpyrimidine is CCn1ccnc1Cn1ccc(-c2cccc(-c3nc(C)ncc3C)c2)n1.
What is the InChIKey of 4-[3-[1-[(1-ethylimidazol-2-yl)methyl]pyrazol-3-yl]phenyl]-2,5-dimethylpyrimidine?
The InChIKey is PZOVAZGCGBBKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6/c1-4-26-11-9-22-20(26)14-27-10-8-19(25-27)17-6-5-7-18(12-17)21-15(2)13-23-16(3)24-21/h5-13H,4,14H2,1-3H3.
What are the key properties of 4-[3-[1-[(1-ethylimidazol-2-yl)methyl]pyrazol-3-yl]phenyl]-2,5-dimethylpyrimidine?
4-[3-[1-[(1-ethylimidazol-2-yl)methyl]pyrazol-3-yl]phenyl]-2,5-dimethylpyrimidine has a molecular weight of 358.45 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[1-[(1-ethylimidazol-2-yl)methyl]pyrazol-3-yl]phenyl]-2,5-dimethylpyrimidine is sourced from PubChem (CID 28822694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).