1,3-dimethyl-4-[3-[(3-propan-2-yloxyphenyl)methyl]imidazol-4-yl]pyrazole

C18H22N4O — CID 46980468

IUPAC1,3-dimethyl-4-[3-[(3-propan-2-yloxyphenyl)methyl]imidazol-4-yl]pyrazole
SMILESCc1nn(C)cc1-c1cncn1Cc1cccc(OC(C)C)c1
InChIInChI=1S/C18H22N4O/c1-13(2)23-16-7-5-6-15(8-16)10-22-12-19-9-18(22)17-11-21(4)20-14(17)3/h5-9,11-13H,10H2,1-4H3
InChIKeyJVLLIMKIFVMDLV-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.43
Rot. Bonds5

About 1,3-dimethyl-4-[3-[(3-propan-2-yloxyphenyl)methyl]imidazol-4-yl]pyrazole

1,3-dimethyl-4-[3-[(3-propan-2-yloxyphenyl)methyl]imidazol-4-yl]pyrazole (PubChem CID 46980468) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 1,3-dimethyl-4-[3-[(3-propan-2-yloxyphenyl)methyl]imidazol-4-yl]pyrazole.

Molecular Properties

Compound Name1,3-dimethyl-4-[3-[(3-propan-2-yloxyphenyl)methyl]imidazol-4-yl]pyrazole
PubChem CID46980468
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name1,3-dimethyl-4-[3-[(3-propan-2-yloxyphenyl)methyl]imidazol-4-yl]pyrazole
SMILESCc1nn(C)cc1-c1cncn1Cc1cccc(OC(C)C)c1
InChIInChI=1S/C18H22N4O/c1-13(2)23-16-7-5-6-15(8-16)10-22-12-19-9-18(22)17-11-21(4)20-14(17)3/h5-9,11-13H,10H2,1-4H3
InChIKeyJVLLIMKIFVMDLV-UHFFFAOYSA-N
XLogP3.43
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-[3-[(3-propan-2-yloxyphenyl)methyl]imidazol-4-yl]pyrazole?
The IUPAC name of 1,3-dimethyl-4-[3-[(3-propan-2-yloxyphenyl)methyl]imidazol-4-yl]pyrazole (CID 46980468) is 1,3-dimethyl-4-[3-[(3-propan-2-yloxyphenyl)methyl]imidazol-4-yl]pyrazole.
What is the SMILES notation for 1,3-dimethyl-4-[3-[(3-propan-2-yloxyphenyl)methyl]imidazol-4-yl]pyrazole?
The canonical SMILES for 1,3-dimethyl-4-[3-[(3-propan-2-yloxyphenyl)methyl]imidazol-4-yl]pyrazole is Cc1nn(C)cc1-c1cncn1Cc1cccc(OC(C)C)c1.
What is the InChIKey of 1,3-dimethyl-4-[3-[(3-propan-2-yloxyphenyl)methyl]imidazol-4-yl]pyrazole?
The InChIKey is JVLLIMKIFVMDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-13(2)23-16-7-5-6-15(8-16)10-22-12-19-9-18(22)17-11-21(4)20-14(17)3/h5-9,11-13H,10H2,1-4H3.
What are the key properties of 1,3-dimethyl-4-[3-[(3-propan-2-yloxyphenyl)methyl]imidazol-4-yl]pyrazole?
1,3-dimethyl-4-[3-[(3-propan-2-yloxyphenyl)methyl]imidazol-4-yl]pyrazole has a molecular weight of 310.40 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-[3-[(3-propan-2-yloxyphenyl)methyl]imidazol-4-yl]pyrazole is sourced from PubChem (CID 46980468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).