N-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-propylpyrazol-4-amine

C17H20FN5O — CID 139004142

IUPACN-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-propylpyrazol-4-amine
SMILESCCCn1cc(NC(C)c2nc(-c3ccc(C)c(F)c3)no2)cn1
InChIInChI=1S/C17H20FN5O/c1-4-7-23-10-14(9-19-23)20-12(3)17-21-16(22-24-17)13-6-5-11(2)15(18)8-13/h5-6,8-10,12,20H,4,7H2,1-3H3
InChIKeyIVOXTFNFACLRGV-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.96
Rot. Bonds6

About N-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-propylpyrazol-4-amine

N-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-propylpyrazol-4-amine (PubChem CID 139004142) has the molecular formula C17H20FN5O and a molecular weight of 329.38 g/mol. Its IUPAC name is N-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-propylpyrazol-4-amine.

Molecular Properties

Compound NameN-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-propylpyrazol-4-amine
PubChem CID139004142
Molecular FormulaC17H20FN5O
Molecular Weight329.38 g/mol
Exact Mass329.17
IUPAC NameN-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-propylpyrazol-4-amine
SMILESCCCn1cc(NC(C)c2nc(-c3ccc(C)c(F)c3)no2)cn1
InChIInChI=1S/C17H20FN5O/c1-4-7-23-10-14(9-19-23)20-12(3)17-21-16(22-24-17)13-6-5-11(2)15(18)8-13/h5-6,8-10,12,20H,4,7H2,1-3H3
InChIKeyIVOXTFNFACLRGV-UHFFFAOYSA-N
XLogP3.96
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl N-[4-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethylamino]phenyl]carbamate
CID 60542241
4-chloro-N-[4-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethylamino]phenyl]benzamide
CID 60583020
1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride
CID 71756178
(1S)-1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine;hydrochloride
CID 119947990
[3-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethylamino]phenyl]methanol
CID 110900364
1-(2,2-difluoroethyl)-N-[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]pyrazol-4-amine
CID 99822995
1-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122006706
(2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[(1-propylpyrazol-4-yl)amino]propanamide
CID 99823004
(R)-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 29288002
4-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pentanenitrile
CID 106523497
5-[1-(4-ethoxyphenoxy)ethyl]-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole
CID 112815966
(2S)-3-[(1S)-1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]sulfanylpropane-1,2-diol
CID 97221137

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-propylpyrazol-4-amine?
The IUPAC name of N-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-propylpyrazol-4-amine (CID 139004142) is N-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-propylpyrazol-4-amine.
What is the SMILES notation for N-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-propylpyrazol-4-amine?
The canonical SMILES for N-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-propylpyrazol-4-amine is CCCn1cc(NC(C)c2nc(-c3ccc(C)c(F)c3)no2)cn1.
What is the InChIKey of N-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-propylpyrazol-4-amine?
The InChIKey is IVOXTFNFACLRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O/c1-4-7-23-10-14(9-19-23)20-12(3)17-21-16(22-24-17)13-6-5-11(2)15(18)8-13/h5-6,8-10,12,20H,4,7H2,1-3H3.
What are the key properties of N-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-propylpyrazol-4-amine?
N-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-propylpyrazol-4-amine has a molecular weight of 329.38 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-propylpyrazol-4-amine is sourced from PubChem (CID 139004142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).