N-[(3,5-dimethyl-2-pyrazol-1-ylphenyl)methyl]-N-[(2-fluorophenyl)methyl]-3-imidazol-1-ylpropan-1-amine

C25H28FN5 — CID 16677839

IUPACN-[(3,5-dimethyl-2-pyrazol-1-ylphenyl)methyl]-N-[(2-fluorophenyl)methyl]-3-imidazol-1-ylpropan-1-amine
SMILESCc1cc(C)c(-n2cccn2)c(CN(CCCn2ccnc2)Cc2ccccc2F)c1
InChIInChI=1S/C25H28FN5/c1-20-15-21(2)25(31-13-5-9-28-31)23(16-20)18-30(12-6-11-29-14-10-27-19-29)17-22-7-3-4-8-24(22)26/h3-5,7-10,13-16,19H,6,11-12,17-18H2,1-2H3
InChIKeyBATDHCVGCCUCSN-UHFFFAOYSA-N
MW417.53 g/mol
LogP4.92
Rot. Bonds9

About N-[(3,5-dimethyl-2-pyrazol-1-ylphenyl)methyl]-N-[(2-fluorophenyl)methyl]-3-imidazol-1-ylpropan-1-amine

N-[(3,5-dimethyl-2-pyrazol-1-ylphenyl)methyl]-N-[(2-fluorophenyl)methyl]-3-imidazol-1-ylpropan-1-amine (PubChem CID 16677839) has the molecular formula C25H28FN5 and a molecular weight of 417.53 g/mol. Its IUPAC name is N-[(3,5-dimethyl-2-pyrazol-1-ylphenyl)methyl]-N-[(2-fluorophenyl)methyl]-3-imidazol-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-2-pyrazol-1-ylphenyl)methyl]-N-[(2-fluorophenyl)methyl]-3-imidazol-1-ylpropan-1-amine
PubChem CID16677839
Molecular FormulaC25H28FN5
Molecular Weight417.53 g/mol
Exact Mass417.23
IUPAC NameN-[(3,5-dimethyl-2-pyrazol-1-ylphenyl)methyl]-N-[(2-fluorophenyl)methyl]-3-imidazol-1-ylpropan-1-amine
SMILESCc1cc(C)c(-n2cccn2)c(CN(CCCn2ccnc2)Cc2ccccc2F)c1
InChIInChI=1S/C25H28FN5/c1-20-15-21(2)25(31-13-5-9-28-31)23(16-20)18-30(12-6-11-29-14-10-27-19-29)17-22-7-3-4-8-24(22)26/h3-5,7-10,13-16,19H,6,11-12,17-18H2,1-2H3
InChIKeyBATDHCVGCCUCSN-UHFFFAOYSA-N
XLogP4.92
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-2-pyrazol-1-ylphenyl)methyl]-N-[(2-fluorophenyl)methyl]-3-imidazol-1-ylpropan-1-amine?
The IUPAC name of N-[(3,5-dimethyl-2-pyrazol-1-ylphenyl)methyl]-N-[(2-fluorophenyl)methyl]-3-imidazol-1-ylpropan-1-amine (CID 16677839) is N-[(3,5-dimethyl-2-pyrazol-1-ylphenyl)methyl]-N-[(2-fluorophenyl)methyl]-3-imidazol-1-ylpropan-1-amine.
What is the SMILES notation for N-[(3,5-dimethyl-2-pyrazol-1-ylphenyl)methyl]-N-[(2-fluorophenyl)methyl]-3-imidazol-1-ylpropan-1-amine?
The canonical SMILES for N-[(3,5-dimethyl-2-pyrazol-1-ylphenyl)methyl]-N-[(2-fluorophenyl)methyl]-3-imidazol-1-ylpropan-1-amine is Cc1cc(C)c(-n2cccn2)c(CN(CCCn2ccnc2)Cc2ccccc2F)c1.
What is the InChIKey of N-[(3,5-dimethyl-2-pyrazol-1-ylphenyl)methyl]-N-[(2-fluorophenyl)methyl]-3-imidazol-1-ylpropan-1-amine?
The InChIKey is BATDHCVGCCUCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN5/c1-20-15-21(2)25(31-13-5-9-28-31)23(16-20)18-30(12-6-11-29-14-10-27-19-29)17-22-7-3-4-8-24(22)26/h3-5,7-10,13-16,19H,6,11-12,17-18H2,1-2H3.
What are the key properties of N-[(3,5-dimethyl-2-pyrazol-1-ylphenyl)methyl]-N-[(2-fluorophenyl)methyl]-3-imidazol-1-ylpropan-1-amine?
N-[(3,5-dimethyl-2-pyrazol-1-ylphenyl)methyl]-N-[(2-fluorophenyl)methyl]-3-imidazol-1-ylpropan-1-amine has a molecular weight of 417.53 g/mol, XLogP of 4.92, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-2-pyrazol-1-ylphenyl)methyl]-N-[(2-fluorophenyl)methyl]-3-imidazol-1-ylpropan-1-amine is sourced from PubChem (CID 16677839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).