1-[2-[[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-1-yl]methyl]phenyl]-N,N-dimethylmethanamine

C20H27N5 — CID 46980228

IUPAC1-[2-[[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-1-yl]methyl]phenyl]-N,N-dimethylmethanamine
SMILESCCn1nc(C)c(-c2cncn2Cc2ccccc2CN(C)C)c1C
InChIInChI=1S/C20H27N5/c1-6-25-16(3)20(15(2)22-25)19-11-21-14-24(19)13-18-10-8-7-9-17(18)12-23(4)5/h7-11,14H,6,12-13H2,1-5H3
InChIKeyDLMSYNWPKLAPFF-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.49
Rot. Bonds6

About 1-[2-[[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-1-yl]methyl]phenyl]-N,N-dimethylmethanamine

1-[2-[[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-1-yl]methyl]phenyl]-N,N-dimethylmethanamine (PubChem CID 46980228) has the molecular formula C20H27N5 and a molecular weight of 337.47 g/mol. Its IUPAC name is 1-[2-[[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-1-yl]methyl]phenyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[2-[[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-1-yl]methyl]phenyl]-N,N-dimethylmethanamine
PubChem CID46980228
Molecular FormulaC20H27N5
Molecular Weight337.47 g/mol
Exact Mass337.23
IUPAC Name1-[2-[[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-1-yl]methyl]phenyl]-N,N-dimethylmethanamine
SMILESCCn1nc(C)c(-c2cncn2Cc2ccccc2CN(C)C)c1C
InChIInChI=1S/C20H27N5/c1-6-25-16(3)20(15(2)22-25)19-11-21-14-24(19)13-18-10-8-7-9-17(18)12-23(4)5/h7-11,14H,6,12-13H2,1-5H3
InChIKeyDLMSYNWPKLAPFF-UHFFFAOYSA-N
XLogP3.49
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-1-yl]methyl]phenyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[2-[[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-1-yl]methyl]phenyl]-N,N-dimethylmethanamine (CID 46980228) is 1-[2-[[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-1-yl]methyl]phenyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[2-[[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-1-yl]methyl]phenyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[2-[[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-1-yl]methyl]phenyl]-N,N-dimethylmethanamine is CCn1nc(C)c(-c2cncn2Cc2ccccc2CN(C)C)c1C.
What is the InChIKey of 1-[2-[[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-1-yl]methyl]phenyl]-N,N-dimethylmethanamine?
The InChIKey is DLMSYNWPKLAPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5/c1-6-25-16(3)20(15(2)22-25)19-11-21-14-24(19)13-18-10-8-7-9-17(18)12-23(4)5/h7-11,14H,6,12-13H2,1-5H3.
What are the key properties of 1-[2-[[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-1-yl]methyl]phenyl]-N,N-dimethylmethanamine?
1-[2-[[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-1-yl]methyl]phenyl]-N,N-dimethylmethanamine has a molecular weight of 337.47 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-1-yl]methyl]phenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 46980228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).