4-[1-[(1-phenylpyrazol-4-yl)methyl]imidazol-2-yl]-2-propan-2-ylpyrimidine

C20H20N6 — CID 56914095

IUPAC4-[1-[(1-phenylpyrazol-4-yl)methyl]imidazol-2-yl]-2-propan-2-ylpyrimidine
SMILESCC(C)c1nccc(-c2nccn2Cc2cnn(-c3ccccc3)c2)n1
InChIInChI=1S/C20H20N6/c1-15(2)19-21-9-8-18(24-19)20-22-10-11-25(20)13-16-12-23-26(14-16)17-6-4-3-5-7-17/h3-12,14-15H,13H2,1-2H3
InChIKeyHWYZPODLVDKBAX-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.70
Rot. Bonds5

About 4-[1-[(1-phenylpyrazol-4-yl)methyl]imidazol-2-yl]-2-propan-2-ylpyrimidine

4-[1-[(1-phenylpyrazol-4-yl)methyl]imidazol-2-yl]-2-propan-2-ylpyrimidine (PubChem CID 56914095) has the molecular formula C20H20N6 and a molecular weight of 344.42 g/mol. Its IUPAC name is 4-[1-[(1-phenylpyrazol-4-yl)methyl]imidazol-2-yl]-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-[1-[(1-phenylpyrazol-4-yl)methyl]imidazol-2-yl]-2-propan-2-ylpyrimidine
PubChem CID56914095
Molecular FormulaC20H20N6
Molecular Weight344.42 g/mol
Exact Mass344.17
IUPAC Name4-[1-[(1-phenylpyrazol-4-yl)methyl]imidazol-2-yl]-2-propan-2-ylpyrimidine
SMILESCC(C)c1nccc(-c2nccn2Cc2cnn(-c3ccccc3)c2)n1
InChIInChI=1S/C20H20N6/c1-15(2)19-21-9-8-18(24-19)20-22-10-11-25(20)13-16-12-23-26(14-16)17-6-4-3-5-7-17/h3-12,14-15H,13H2,1-2H3
InChIKeyHWYZPODLVDKBAX-UHFFFAOYSA-N
XLogP3.70
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-[(1-phenylpyrazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine
CID 62223380
1-methyl-4-[(2-phenylimidazol-1-yl)methyl]pyrazole
CID 155917955
4-[[1-[(1-phenylpyrazol-4-yl)methyl]imidazol-2-yl]methyl]aniline
CID 82558636
4-[1-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]imidazol-2-yl]pyridin-2-amine
CID 166620627
1-[1-[(1-phenylpyrazol-4-yl)methyl]pyrrol-2-yl]ethanone
CID 79107228
(2R,3R)-N-[(1-phenylpyrazol-4-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95276955
5-bromo-6-methyl-3-[(1-phenylpyrazol-4-yl)methyl]pyrimidin-4-one
CID 66308350
3-[(1-phenylpyrazol-4-yl)methyl]pyrimidin-4-one
CID 115696938
1-phenyl-4-propylpyrazole
CID 12902534
4-methyl-2-oxo-1-[(1-phenylpyrazol-4-yl)methyl]pyridine-3-carbonitrile
CID 86795241
2-[(1-phenylpyrazol-4-yl)methyl]pyrazol-3-amine
CID 16790422
4-[4-[1-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]imidazol-2-yl]triazol-1-yl]piperidine;hydrochloride
CID 154896560

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(1-phenylpyrazol-4-yl)methyl]imidazol-2-yl]-2-propan-2-ylpyrimidine?
The IUPAC name of 4-[1-[(1-phenylpyrazol-4-yl)methyl]imidazol-2-yl]-2-propan-2-ylpyrimidine (CID 56914095) is 4-[1-[(1-phenylpyrazol-4-yl)methyl]imidazol-2-yl]-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4-[1-[(1-phenylpyrazol-4-yl)methyl]imidazol-2-yl]-2-propan-2-ylpyrimidine?
The canonical SMILES for 4-[1-[(1-phenylpyrazol-4-yl)methyl]imidazol-2-yl]-2-propan-2-ylpyrimidine is CC(C)c1nccc(-c2nccn2Cc2cnn(-c3ccccc3)c2)n1.
What is the InChIKey of 4-[1-[(1-phenylpyrazol-4-yl)methyl]imidazol-2-yl]-2-propan-2-ylpyrimidine?
The InChIKey is HWYZPODLVDKBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6/c1-15(2)19-21-9-8-18(24-19)20-22-10-11-25(20)13-16-12-23-26(14-16)17-6-4-3-5-7-17/h3-12,14-15H,13H2,1-2H3.
What are the key properties of 4-[1-[(1-phenylpyrazol-4-yl)methyl]imidazol-2-yl]-2-propan-2-ylpyrimidine?
4-[1-[(1-phenylpyrazol-4-yl)methyl]imidazol-2-yl]-2-propan-2-ylpyrimidine has a molecular weight of 344.42 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(1-phenylpyrazol-4-yl)methyl]imidazol-2-yl]-2-propan-2-ylpyrimidine is sourced from PubChem (CID 56914095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).