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

C22H24FN5O — CID 16677114

IUPACN-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine
SMILESCc1ccc(CN(CCCn2ccnc2)Cc2cnn(-c3ccc(F)cc3)c2)o1
InChIInChI=1S/C22H24FN5O/c1-18-3-8-22(29-18)16-27(11-2-10-26-12-9-24-17-26)14-19-13-25-28(15-19)21-6-4-20(23)5-7-21/h3-9,12-13,15,17H,2,10-11,14,16H2,1H3
InChIKeyRFPVGZLEGGICHS-UHFFFAOYSA-N
MW393.47 g/mol
LogP4.20
Rot. Bonds9

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

N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine (PubChem CID 16677114) has the molecular formula C22H24FN5O and a molecular weight of 393.47 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine
PubChem CID16677114
Molecular FormulaC22H24FN5O
Molecular Weight393.47 g/mol
Exact Mass393.20
IUPAC NameN-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine
SMILESCc1ccc(CN(CCCn2ccnc2)Cc2cnn(-c3ccc(F)cc3)c2)o1
InChIInChI=1S/C22H24FN5O/c1-18-3-8-22(29-18)16-27(11-2-10-26-12-9-24-17-26)14-19-13-25-28(15-19)21-6-4-20(23)5-7-21/h3-9,12-13,15,17H,2,10-11,14,16H2,1H3
InChIKeyRFPVGZLEGGICHS-UHFFFAOYSA-N
XLogP4.20
TPSA52.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine (CID 16677114) is N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine is Cc1ccc(CN(CCCn2ccnc2)Cc2cnn(-c3ccc(F)cc3)c2)o1.
What is the InChIKey of N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine?
The InChIKey is RFPVGZLEGGICHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O/c1-18-3-8-22(29-18)16-27(11-2-10-26-12-9-24-17-26)14-19-13-25-28(15-19)21-6-4-20(23)5-7-21/h3-9,12-13,15,17H,2,10-11,14,16H2,1H3.
What are the key properties of N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine?
N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine has a molecular weight of 393.47 g/mol, XLogP of 4.20, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 16677114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).