(2-chlorophenyl)-[5-(4,5-dimethylimidazol-1-yl)-1,3-dimethylpyrazol-4-yl]methanone

C17H17ClN4O — CID 70448869

IUPAC(2-chlorophenyl)-[5-(4,5-dimethylimidazol-1-yl)-1,3-dimethylpyrazol-4-yl]methanone
SMILESCc1nn(C)c(-n2cnc(C)c2C)c1C(=O)c1ccccc1Cl
InChIInChI=1S/C17H17ClN4O/c1-10-12(3)22(9-19-10)17-15(11(2)20-21(17)4)16(23)13-7-5-6-8-14(13)18/h5-9H,1-4H3
InChIKeyRYRYJFOCPWYLLY-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.42
Rot. Bonds3

About (2-chlorophenyl)-[5-(4,5-dimethylimidazol-1-yl)-1,3-dimethylpyrazol-4-yl]methanone

(2-chlorophenyl)-[5-(4,5-dimethylimidazol-1-yl)-1,3-dimethylpyrazol-4-yl]methanone (PubChem CID 70448869) has the molecular formula C17H17ClN4O and a molecular weight of 328.80 g/mol. Its IUPAC name is (2-chlorophenyl)-[5-(4,5-dimethylimidazol-1-yl)-1,3-dimethylpyrazol-4-yl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[5-(4,5-dimethylimidazol-1-yl)-1,3-dimethylpyrazol-4-yl]methanone
PubChem CID70448869
Molecular FormulaC17H17ClN4O
Molecular Weight328.80 g/mol
Exact Mass328.11
IUPAC Name(2-chlorophenyl)-[5-(4,5-dimethylimidazol-1-yl)-1,3-dimethylpyrazol-4-yl]methanone
SMILESCc1nn(C)c(-n2cnc(C)c2C)c1C(=O)c1ccccc1Cl
InChIInChI=1S/C17H17ClN4O/c1-10-12(3)22(9-19-10)17-15(11(2)20-21(17)4)16(23)13-7-5-6-8-14(13)18/h5-9H,1-4H3
InChIKeyRYRYJFOCPWYLLY-UHFFFAOYSA-N
XLogP3.42
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[5-(4,5-dimethylimidazol-1-yl)-1,3-dimethylpyrazol-4-yl]methanone?
The IUPAC name of (2-chlorophenyl)-[5-(4,5-dimethylimidazol-1-yl)-1,3-dimethylpyrazol-4-yl]methanone (CID 70448869) is (2-chlorophenyl)-[5-(4,5-dimethylimidazol-1-yl)-1,3-dimethylpyrazol-4-yl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[5-(4,5-dimethylimidazol-1-yl)-1,3-dimethylpyrazol-4-yl]methanone?
The canonical SMILES for (2-chlorophenyl)-[5-(4,5-dimethylimidazol-1-yl)-1,3-dimethylpyrazol-4-yl]methanone is Cc1nn(C)c(-n2cnc(C)c2C)c1C(=O)c1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)-[5-(4,5-dimethylimidazol-1-yl)-1,3-dimethylpyrazol-4-yl]methanone?
The InChIKey is RYRYJFOCPWYLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O/c1-10-12(3)22(9-19-10)17-15(11(2)20-21(17)4)16(23)13-7-5-6-8-14(13)18/h5-9H,1-4H3.
What are the key properties of (2-chlorophenyl)-[5-(4,5-dimethylimidazol-1-yl)-1,3-dimethylpyrazol-4-yl]methanone?
(2-chlorophenyl)-[5-(4,5-dimethylimidazol-1-yl)-1,3-dimethylpyrazol-4-yl]methanone has a molecular weight of 328.80 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[5-(4,5-dimethylimidazol-1-yl)-1,3-dimethylpyrazol-4-yl]methanone is sourced from PubChem (CID 70448869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).