N'-[[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine

C17H25FN4 — CID 86304780

IUPACN'-[[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)Cc1cn(C(C)C)nc1-c1ccc(F)cc1
InChIInChI=1S/C17H25FN4/c1-13(2)22-12-15(11-21(4)10-9-19-3)17(20-22)14-5-7-16(18)8-6-14/h5-8,12-13,19H,9-11H2,1-4H3
InChIKeySQVCLOPDDPDJMS-UHFFFAOYSA-N
MW304.41 g/mol
LogP2.92
Rot. Bonds7

About N'-[[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine

N'-[[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine (PubChem CID 86304780) has the molecular formula C17H25FN4 and a molecular weight of 304.41 g/mol. Its IUPAC name is N'-[[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
PubChem CID86304780
Molecular FormulaC17H25FN4
Molecular Weight304.41 g/mol
Exact Mass304.21
IUPAC NameN'-[[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)Cc1cn(C(C)C)nc1-c1ccc(F)cc1
InChIInChI=1S/C17H25FN4/c1-13(2)22-12-15(11-21(4)10-9-19-3)17(20-22)14-5-7-16(18)8-6-14/h5-8,12-13,19H,9-11H2,1-4H3
InChIKeySQVCLOPDDPDJMS-UHFFFAOYSA-N
XLogP2.92
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-[[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-[[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine (CID 86304780) is N'-[[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-[[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-[[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine is CNCCN(C)Cc1cn(C(C)C)nc1-c1ccc(F)cc1.
What is the InChIKey of N'-[[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine?
The InChIKey is SQVCLOPDDPDJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN4/c1-13(2)22-12-15(11-21(4)10-9-19-3)17(20-22)14-5-7-16(18)8-6-14/h5-8,12-13,19H,9-11H2,1-4H3.
What are the key properties of N'-[[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine?
N'-[[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine has a molecular weight of 304.41 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 86304780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).