1-[[4-(1H-pyrazol-5-yl)phenyl]methyl]imidazole

C13H12N4 — CID 28740129

IUPAC1-[[4-(1H-pyrazol-5-yl)phenyl]methyl]imidazole
SMILESc1cn(Cc2ccc(-c3ccn[nH]3)cc2)cn1
InChIInChI=1S/C13H12N4/c1-3-12(13-5-6-15-16-13)4-2-11(1)9-17-8-7-14-10-17/h1-8,10H,9H2,(H,15,16)
InChIKeyXMUZZFSXDCJNBM-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.32
Rot. Bonds3

About 1-[[4-(1H-pyrazol-5-yl)phenyl]methyl]imidazole

1-[[4-(1H-pyrazol-5-yl)phenyl]methyl]imidazole (PubChem CID 28740129) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is 1-[[4-(1H-pyrazol-5-yl)phenyl]methyl]imidazole.

Molecular Properties

Compound Name1-[[4-(1H-pyrazol-5-yl)phenyl]methyl]imidazole
PubChem CID28740129
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC Name1-[[4-(1H-pyrazol-5-yl)phenyl]methyl]imidazole
SMILESc1cn(Cc2ccc(-c3ccn[nH]3)cc2)cn1
InChIInChI=1S/C13H12N4/c1-3-12(13-5-6-15-16-13)4-2-11(1)9-17-8-7-14-10-17/h1-8,10H,9H2,(H,15,16)
InChIKeyXMUZZFSXDCJNBM-UHFFFAOYSA-N
XLogP2.32
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-methylphenyl)methyl]imidazole;molecular hydrogen
CID 167543192
5-[4-(imidazol-1-ylmethyl)phenyl]benzene-1,2,3-triol
CID 23644764
5-[4-(imidazol-1-ylmethyl)phenyl]-2,3-dihydro-1H-isoindole
CID 72910079
N-(2-imidazol-1-ylethyl)-N'-[4-(1H-pyrazol-5-yl)phenyl]oxamide
CID 75443494
N-[4-(imidazol-1-ylmethyl)phenyl]methanimine
CID 123643271
(1S)-2-[4-(imidazol-1-ylmethyl)phenyl]cyclohex-2-en-1-ol
CID 166306335
5-(imidazol-1-ylmethyl)-2-[4-(1H-pyrazol-4-yl)phenyl]pyridine
CID 155918504
1-benzylimidazole;chloro hypochlorite;selane
CID 175250503
4-(imidazol-1-ylmethyl)benzoate
CID 42555847
1-[4-(imidazol-1-ylmethyl)phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
CID 86808687
1-[4-(imidazol-1-ylmethyl)phenyl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine
CID 51114927
5-(imidazol-1-ylmethyl)-2H-benzotriazole;hydrochloride
CID 19995935

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(1H-pyrazol-5-yl)phenyl]methyl]imidazole?
The IUPAC name of 1-[[4-(1H-pyrazol-5-yl)phenyl]methyl]imidazole (CID 28740129) is 1-[[4-(1H-pyrazol-5-yl)phenyl]methyl]imidazole.
What is the SMILES notation for 1-[[4-(1H-pyrazol-5-yl)phenyl]methyl]imidazole?
The canonical SMILES for 1-[[4-(1H-pyrazol-5-yl)phenyl]methyl]imidazole is c1cn(Cc2ccc(-c3ccn[nH]3)cc2)cn1.
What is the InChIKey of 1-[[4-(1H-pyrazol-5-yl)phenyl]methyl]imidazole?
The InChIKey is XMUZZFSXDCJNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c1-3-12(13-5-6-15-16-13)4-2-11(1)9-17-8-7-14-10-17/h1-8,10H,9H2,(H,15,16).
What are the key properties of 1-[[4-(1H-pyrazol-5-yl)phenyl]methyl]imidazole?
1-[[4-(1H-pyrazol-5-yl)phenyl]methyl]imidazole has a molecular weight of 224.27 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(1H-pyrazol-5-yl)phenyl]methyl]imidazole is sourced from PubChem (CID 28740129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).