N-[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine

C18H20FN5 — CID 22037392

IUPACN-[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1cc(-c2cn[nH]c2-c2ccc(F)cc2)ccn1
InChIInChI=1S/C18H20FN5/c1-24(2)10-9-21-17-11-14(7-8-20-17)16-12-22-23-18(16)13-3-5-15(19)6-4-13/h3-8,11-12H,9-10H2,1-2H3,(H,20,21)(H,22,23)
InChIKeySICDWSYVDBRPOY-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.25
Rot. Bonds6

About N-[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine

N-[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 22037392) has the molecular formula C18H20FN5 and a molecular weight of 325.39 g/mol. Its IUPAC name is N-[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine
PubChem CID22037392
Molecular FormulaC18H20FN5
Molecular Weight325.39 g/mol
Exact Mass325.17
IUPAC NameN-[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1cc(-c2cn[nH]c2-c2ccc(F)cc2)ccn1
InChIInChI=1S/C18H20FN5/c1-24(2)10-9-21-17-11-14(7-8-20-17)16-12-22-23-18(16)13-3-5-15(19)6-4-13/h3-8,11-12H,9-10H2,1-2H3,(H,20,21)(H,22,23)
InChIKeySICDWSYVDBRPOY-UHFFFAOYSA-N
XLogP3.25
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine (CID 22037392) is N-[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine is CN(C)CCNc1cc(-c2cn[nH]c2-c2ccc(F)cc2)ccn1.
What is the InChIKey of N-[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is SICDWSYVDBRPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5/c1-24(2)10-9-21-17-11-14(7-8-20-17)16-12-22-23-18(16)13-3-5-15(19)6-4-13/h3-8,11-12H,9-10H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of N-[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine?
N-[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 325.39 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 22037392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).