[1-[(2-chlorophenoxy)methyl]pyrazol-3-yl]-imidazol-1-ylmethanone

C14H11ClN4O2 — CID 35528279

IUPAC[1-[(2-chlorophenoxy)methyl]pyrazol-3-yl]-imidazol-1-ylmethanone
SMILESO=C(c1ccn(COc2ccccc2Cl)n1)n1ccnc1
InChIInChI=1S/C14H11ClN4O2/c15-11-3-1-2-4-13(11)21-10-19-7-5-12(17-19)14(20)18-8-6-16-9-18/h1-9H,10H2
InChIKeyGZUWOPGNIVSWMG-UHFFFAOYSA-N
MW302.72 g/mol
LogP2.46
Rot. Bonds4

About [1-[(2-chlorophenoxy)methyl]pyrazol-3-yl]-imidazol-1-ylmethanone

[1-[(2-chlorophenoxy)methyl]pyrazol-3-yl]-imidazol-1-ylmethanone (PubChem CID 35528279) has the molecular formula C14H11ClN4O2 and a molecular weight of 302.72 g/mol. Its IUPAC name is [1-[(2-chlorophenoxy)methyl]pyrazol-3-yl]-imidazol-1-ylmethanone.

Molecular Properties

Compound Name[1-[(2-chlorophenoxy)methyl]pyrazol-3-yl]-imidazol-1-ylmethanone
PubChem CID35528279
Molecular FormulaC14H11ClN4O2
Molecular Weight302.72 g/mol
Exact Mass302.06
IUPAC Name[1-[(2-chlorophenoxy)methyl]pyrazol-3-yl]-imidazol-1-ylmethanone
SMILESO=C(c1ccn(COc2ccccc2Cl)n1)n1ccnc1
InChIInChI=1S/C14H11ClN4O2/c15-11-3-1-2-4-13(11)21-10-19-7-5-12(17-19)14(20)18-8-6-16-9-18/h1-9H,10H2
InChIKeyGZUWOPGNIVSWMG-UHFFFAOYSA-N
XLogP2.46
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.72
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[(2-chlorophenoxy)methyl]pyrazol-3-yl]-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methanone
CID 19472452
1-[(2-chlorophenoxy)methyl]-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 4867001
tert-butyl 4-[1-[(2-chlorophenoxy)methyl]pyrazole-3-carbonyl]-1,4-diazepane-1-carboxylate
CID 95752610
1-[(2-chlorophenoxy)methyl]-N-(2-fluorophenyl)pyrazole-3-carboxamide
CID 4774958
1-[(2-chlorophenoxy)methyl]-N-(4-methyl-2-pyridinyl)pyrazole-3-carboxamide
CID 19581793
1-[(2-chlorophenoxy)methyl]-N-octadecylpyrazole-3-carboxamide
CID 19265104
[1-[(2-chlorophenoxy)methyl]pyrazol-3-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 19472458
[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-[1-[(2-chlorophenoxy)methyl]pyrazol-3-yl]methanone
CID 19472453
1-[(2-chlorophenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
CID 19294663
1-[(2-chlorophenoxy)methyl]-N-(2,3-dimethylphenyl)pyrazole-3-carboxamide
CID 17022012
1-[(2-chlorophenoxy)methyl]-N-(2,5-dimethylphenyl)pyrazole-3-carboxamide
CID 19265181
4-chloro-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxylic acid
CID 19618765

Frequently Asked Questions

What is the IUPAC name of [1-[(2-chlorophenoxy)methyl]pyrazol-3-yl]-imidazol-1-ylmethanone?
The IUPAC name of [1-[(2-chlorophenoxy)methyl]pyrazol-3-yl]-imidazol-1-ylmethanone (CID 35528279) is [1-[(2-chlorophenoxy)methyl]pyrazol-3-yl]-imidazol-1-ylmethanone.
What is the SMILES notation for [1-[(2-chlorophenoxy)methyl]pyrazol-3-yl]-imidazol-1-ylmethanone?
The canonical SMILES for [1-[(2-chlorophenoxy)methyl]pyrazol-3-yl]-imidazol-1-ylmethanone is O=C(c1ccn(COc2ccccc2Cl)n1)n1ccnc1.
What is the InChIKey of [1-[(2-chlorophenoxy)methyl]pyrazol-3-yl]-imidazol-1-ylmethanone?
The InChIKey is GZUWOPGNIVSWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O2/c15-11-3-1-2-4-13(11)21-10-19-7-5-12(17-19)14(20)18-8-6-16-9-18/h1-9H,10H2.
What are the key properties of [1-[(2-chlorophenoxy)methyl]pyrazol-3-yl]-imidazol-1-ylmethanone?
[1-[(2-chlorophenoxy)methyl]pyrazol-3-yl]-imidazol-1-ylmethanone has a molecular weight of 302.72 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chlorophenoxy)methyl]pyrazol-3-yl]-imidazol-1-ylmethanone is sourced from PubChem (CID 35528279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).