5-[2-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]-1-methylpyrazole

C14H16N4O — CID 10083742

IUPAC5-[2-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]-1-methylpyrazole
SMILESCn1nccc1-c1ccccc1OCC1=NCCN1
InChIInChI=1S/C14H16N4O/c1-18-12(6-7-17-18)11-4-2-3-5-13(11)19-10-14-15-8-9-16-14/h2-7H,8-10H2,1H3,(H,15,16)
InChIKeyOORBCPFAQRRXTM-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.47
Rot. Bonds4

About 5-[2-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]-1-methylpyrazole

5-[2-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]-1-methylpyrazole (PubChem CID 10083742) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 5-[2-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]-1-methylpyrazole.

Molecular Properties

Compound Name5-[2-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]-1-methylpyrazole
PubChem CID10083742
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name5-[2-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]-1-methylpyrazole
SMILESCn1nccc1-c1ccccc1OCC1=NCCN1
InChIInChI=1S/C14H16N4O/c1-18-12(6-7-17-18)11-4-2-3-5-13(11)19-10-14-15-8-9-16-14/h2-7H,8-10H2,1H3,(H,15,16)
InChIKeyOORBCPFAQRRXTM-UHFFFAOYSA-N
XLogP1.47
TPSA51.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(1H-pyrrol-2-yl)phenoxy]methyl]-4,5-dihydro-1H-imidazole
CID 44362195
1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methoxyindazole;dihydrochloride
CID 90664845
2-[2-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]pyridine
CID 10015132
5-(4-Butoxy-phenyl)-1-methyl-1H-pyrazole
CID 11195591
5-[2-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]-1H-pyrazole
CID 44362150
5-(2-Methoxyphenyl)-1-methyl-1H-pyrazole
CID 21722232
2-[2-[1-(4,5-dihydro-1H-imidazol-2-yl)ethoxy]phenyl]pyridine
CID 11380132
2-[2-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]-4-methylpyridine
CID 44362511
6-(1-Ethylpyrazol-3-YL)-2-methyl-N-[3-(2-methylphenoxy)propyl]pyrimidin-4-amine
CID 46958561
3-(4-Butoxyphenyl)-1-methylpyrazole
CID 11229979
(6R)-9-fluoro-13-oxa-2,17,21,22,25-pentazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,19(26),20,23-heptaene
CID 70168482
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 43786831

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]-1-methylpyrazole?
The IUPAC name of 5-[2-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]-1-methylpyrazole (CID 10083742) is 5-[2-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]-1-methylpyrazole.
What is the SMILES notation for 5-[2-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]-1-methylpyrazole?
The canonical SMILES for 5-[2-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]-1-methylpyrazole is Cn1nccc1-c1ccccc1OCC1=NCCN1.
What is the InChIKey of 5-[2-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]-1-methylpyrazole?
The InChIKey is OORBCPFAQRRXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-18-12(6-7-17-18)11-4-2-3-5-13(11)19-10-14-15-8-9-16-14/h2-7H,8-10H2,1H3,(H,15,16).
What are the key properties of 5-[2-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]-1-methylpyrazole?
5-[2-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]-1-methylpyrazole has a molecular weight of 256.31 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]-1-methylpyrazole is sourced from PubChem (CID 10083742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).