4-[2-[5-(1,5-dimethyl-3-phenylpyrazol-4-yl)imidazol-1-yl]propyl]morpholine

C21H27N5O — CID 46980375

IUPAC4-[2-[5-(1,5-dimethyl-3-phenylpyrazol-4-yl)imidazol-1-yl]propyl]morpholine
SMILESCc1c(-c2cncn2C(C)CN2CCOCC2)c(-c2ccccc2)nn1C
InChIInChI=1S/C21H27N5O/c1-16(14-25-9-11-27-12-10-25)26-15-22-13-19(26)20-17(2)24(3)23-21(20)18-7-5-4-6-8-18/h4-8,13,15-16H,9-12,14H2,1-3H3
InChIKeyPDTXKAVBPANXFH-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.15
Rot. Bonds5

About 4-[2-[5-(1,5-dimethyl-3-phenylpyrazol-4-yl)imidazol-1-yl]propyl]morpholine

4-[2-[5-(1,5-dimethyl-3-phenylpyrazol-4-yl)imidazol-1-yl]propyl]morpholine (PubChem CID 46980375) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is 4-[2-[5-(1,5-dimethyl-3-phenylpyrazol-4-yl)imidazol-1-yl]propyl]morpholine.

Molecular Properties

Compound Name4-[2-[5-(1,5-dimethyl-3-phenylpyrazol-4-yl)imidazol-1-yl]propyl]morpholine
PubChem CID46980375
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name4-[2-[5-(1,5-dimethyl-3-phenylpyrazol-4-yl)imidazol-1-yl]propyl]morpholine
SMILESCc1c(-c2cncn2C(C)CN2CCOCC2)c(-c2ccccc2)nn1C
InChIInChI=1S/C21H27N5O/c1-16(14-25-9-11-27-12-10-25)26-15-22-13-19(26)20-17(2)24(3)23-21(20)18-7-5-4-6-8-18/h4-8,13,15-16H,9-12,14H2,1-3H3
InChIKeyPDTXKAVBPANXFH-UHFFFAOYSA-N
XLogP3.15
TPSA48.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-(1,5-dimethyl-3-phenylpyrazol-4-yl)imidazol-1-yl]propyl]morpholine?
The IUPAC name of 4-[2-[5-(1,5-dimethyl-3-phenylpyrazol-4-yl)imidazol-1-yl]propyl]morpholine (CID 46980375) is 4-[2-[5-(1,5-dimethyl-3-phenylpyrazol-4-yl)imidazol-1-yl]propyl]morpholine.
What is the SMILES notation for 4-[2-[5-(1,5-dimethyl-3-phenylpyrazol-4-yl)imidazol-1-yl]propyl]morpholine?
The canonical SMILES for 4-[2-[5-(1,5-dimethyl-3-phenylpyrazol-4-yl)imidazol-1-yl]propyl]morpholine is Cc1c(-c2cncn2C(C)CN2CCOCC2)c(-c2ccccc2)nn1C.
What is the InChIKey of 4-[2-[5-(1,5-dimethyl-3-phenylpyrazol-4-yl)imidazol-1-yl]propyl]morpholine?
The InChIKey is PDTXKAVBPANXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-16(14-25-9-11-27-12-10-25)26-15-22-13-19(26)20-17(2)24(3)23-21(20)18-7-5-4-6-8-18/h4-8,13,15-16H,9-12,14H2,1-3H3.
What are the key properties of 4-[2-[5-(1,5-dimethyl-3-phenylpyrazol-4-yl)imidazol-1-yl]propyl]morpholine?
4-[2-[5-(1,5-dimethyl-3-phenylpyrazol-4-yl)imidazol-1-yl]propyl]morpholine has a molecular weight of 365.48 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-(1,5-dimethyl-3-phenylpyrazol-4-yl)imidazol-1-yl]propyl]morpholine is sourced from PubChem (CID 46980375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).