3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propan-1-amine

C22H25N5O — CID 16676921

IUPAC3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propan-1-amine
SMILESCc1ccc(CN(CCCn2ccnc2)Cc2cn[nH]c2-c2ccccc2)o1
InChIInChI=1S/C22H25N5O/c1-18-8-9-21(28-18)16-27(12-5-11-26-13-10-23-17-26)15-20-14-24-25-22(20)19-6-3-2-4-7-19/h2-4,6-10,13-14,17H,5,11-12,15-16H2,1H3,(H,24,25)
InChIKeyWCWPUSZOOLTERK-UHFFFAOYSA-N
MW375.48 g/mol
LogP4.27
Rot. Bonds9

About 3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propan-1-amine

3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propan-1-amine (PubChem CID 16676921) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propan-1-amine
PubChem CID16676921
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propan-1-amine
SMILESCc1ccc(CN(CCCn2ccnc2)Cc2cn[nH]c2-c2ccccc2)o1
InChIInChI=1S/C22H25N5O/c1-18-8-9-21(28-18)16-27(12-5-11-26-13-10-23-17-26)15-20-14-24-25-22(20)19-6-3-2-4-7-19/h2-4,6-10,13-14,17H,5,11-12,15-16H2,1H3,(H,24,25)
InChIKeyWCWPUSZOOLTERK-UHFFFAOYSA-N
XLogP4.27
TPSA62.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propan-1-amine?
The IUPAC name of 3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propan-1-amine (CID 16676921) is 3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for 3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propan-1-amine is Cc1ccc(CN(CCCn2ccnc2)Cc2cn[nH]c2-c2ccccc2)o1.
What is the InChIKey of 3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propan-1-amine?
The InChIKey is WCWPUSZOOLTERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-18-8-9-21(28-18)16-27(12-5-11-26-13-10-23-17-26)15-20-14-24-25-22(20)19-6-3-2-4-7-19/h2-4,6-10,13-14,17H,5,11-12,15-16H2,1H3,(H,24,25).
What are the key properties of 3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propan-1-amine?
3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propan-1-amine has a molecular weight of 375.48 g/mol, XLogP of 4.27, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 16676921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).